methyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C29H27N3O7S2 MolecularWeight: 593.67058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H27N3O7S2/c1-3-39-26(33)18-32-24-13-10-21(28(35)38-2)16-25(24)40-29(32)30-27(34)20-8-11-23(12-9-20)41(36,37)31-15-14-19-6-4-5-7-22(19)17-31/h4-13,16H,3,14-15,17-18H2,1-2H3