ethyl 2-[6-acetamido-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-acetamido-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C29H28N4O6S2 MolecularWeight: 592.68582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C29H28N4O6S2/c1-3-39-27(35)18-32-25-15-12-22(30-19(2)34)17-26(25)40-29(32)31-28(36)21-10-13-23(14-11-21)41(37,38)33-16-6-8-20-7-4-5-9-24(20)33/h4-5,7,9-15,17H,3,6,8,16,18H2,1-2H3,(H,30,34)