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

Systemtic Name: [1-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[[4-(2-ethoxy-2-oxo-ethyl)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-[[4-(2-ethoxy-2-oxoethyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-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-ethoxy-2-keto-ethyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C28H27N3O6S MolecularWeight: 533.59548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O6S/c1-4-21(25(33)30-28-29-18(16-38-28)15-22(32)36-5-2)37-27(35)24-23(17-11-7-6-8-12-17)19-13-9-10-14-20(19)26(34)31(24)3/h6-14,16,21H,4-5,15H2,1-3H3,(H,29,30,33)