[5-cyano-3-(2-ethoxyphenyl)-2-oxidanylidene-1-quinolin-8-ylsulfonyl-indol-3-yl] 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate

Systemtic Name: [5-cyano-3-(2-ethoxyphenyl)-2-oxidanylidene-1-quinolin-8-ylsulfonyl-indol-3-yl] 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate Openeye Name: [5-cyano-3-(2-ethoxyphenyl)-2-oxo-1-(8-quinolylsulfonyl)indolin-3-yl] 4-thiazol-2-ylpiperazine-1-carboxylate CAS Name: 4-(2-thiazolyl)-1-piperazinecarboxylic acid [5-cyano-3-(2-ethoxyphenyl)-2-oxo-1-(8-quinolinylsulfonyl)-3-indolyl] ester IUPAC Name: [5-cyano-3-(2-ethoxyphenyl)-2-oxo-1-quinolin-8-ylsulfonylindol-3-yl] 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate Traditional Name: 4-thiazol-2-ylpiperazine-1-carboxylic acid [5-cyano-2-keto-3-o-phenetyl-1-(8-quinolylsulfonyl)indolin-3-yl] ester Formula: C34H28N6O6S2 MolecularWeight: 680.75272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)OC(=O)N6CCN(CC6)C7=NC=CS7

Isomeric SMILES

CCOC1=CC=CC=C1C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)OC(=O)N6CCN(CC6)C7=NC=CS7

InChI

InChI=1S/C34H28N6O6S2/c1-2-45-28-10-4-3-9-25(28)34(46-33(42)39-18-16-38(17-19-39)32-37-15-20-47-32)26-21-23(22-35)12-13-27(26)40(31(34)41)48(43,44)29-11-5-7-24-8-6-14-36-30(24)29/h3-15,20-21H,2,16-19H2,1H3