Catalog Number:
AG01BEUU
Chemical Name:
N-(3-acetylphenyl)-15-amino-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.0^{3,8}.0^{12,16}]heptadeca-1,3(8),9,11,14,16-hexaene-14-carboxamide
CAS Number:
602293-00-5
Molecular Formula:
C22H17N3O4S
Molecular Weight:
419.4531
IUPAC Name:
N-(3-acetylphenyl)-15-amino-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide
InChI:
InChI=1S/C22H17N3O4S/c1-11(26)12-3-2-4-14(7-12)24-21(27)20-19(23)15-8-13-9-17-18(29-6-5-28-17)10-16(13)25-22(15)30-20/h2-4,7-10H,5-6,23H2,1H3,(H,24,27)
InChI Key:
IIAMBYTZHAPBQC-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)NC(=O)c1sc2c(c1N)cc1c(n2)cc2c(c1)OCCO2
