ethyl 3-[(2-chlorophenyl)-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-methyl]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[(2-chlorophenyl)-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-methyl]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(2-chlorophenyl)-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-methyl]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[(2-chlorophenyl)-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]methyl]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-chlorophenyl)-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[(2-chlorophenyl)-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]methyl]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C31H32ClN3O4S MolecularWeight: 578.12148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C(C3=CC=CC=C3Cl)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C(C3=CC=CC=C3Cl)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H32ClN3O4S/c1-3-39-31(37)29-28(24-19-22(38-2)13-14-26(24)33-29)30(23-11-7-8-12-25(23)32)40-20-27(36)35-17-15-34(16-18-35)21-9-5-4-6-10-21/h4-14,19,30,33H,3,15-18,20H2,1-2H3