[1-oxidanylidene-1-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-[[4-(2-thienyl)thiazol-2-yl]amino]ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-oxo-1-[(4-thiophen-2-yl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-1-methyl-2-[[4-(2-thienyl)thiazol-2-yl]amino]ethyl] ester Formula: C28H23N3O4S2 MolecularWeight: 529.62992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=NC(=CS4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=NC(=CS4)C5=CC=CS5

InChI

InChI=1S/C28H23N3O4S2/c1-16-10-12-18(13-11-16)23-19-7-4-5-8-20(19)26(33)31(3)24(23)27(34)35-17(2)25(32)30-28-29-21(15-37-28)22-9-6-14-36-22/h4-15,17H,1-3H3,(H,29,30,32)