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

Systemtic Name: [1-oxidanylidene-1-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[[4-(2-thienyl)thiazol-2-yl]carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-oxo-1-[(4-thiophen-2-yl-2-thiazolyl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]butan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[[4-(2-thienyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C28H23N3O4S2 MolecularWeight: 529.62992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=CS2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC=CS2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O4S2/c1-3-21(25(32)30-28-29-20(16-37-28)22-14-9-15-36-22)35-27(34)24-23(17-10-5-4-6-11-17)18-12-7-8-13-19(18)26(33)31(24)2/h4-16,21H,3H2,1-2H3,(H,29,30,32)