[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C29H27N3O7S2 MolecularWeight: 593.67058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC

InChI

InChI=1S/C29H27N3O7S2/c1-37-25-11-10-20(15-26(25)38-2)24-18-40-29(30-24)31-27(33)17-39-28(34)21-8-5-9-23(14-21)41(35,36)32-13-12-19-6-3-4-7-22(19)16-32/h3-11,14-15,18H,12-13,16-17H2,1-2H3,(H,30,31,33)