ethyl 1-(3-chlorophenyl)-2-methyl-5-oxidanyl-4-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 1-(3-chlorophenyl)-2-methyl-5-oxidanyl-4-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-(3-chlorophenyl)-5-hydroxy-2-methyl-4-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 1-(3-chlorophenyl)-5-hydroxy-2-methyl-4-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chlorophenyl)-5-hydroxy-2-methyl-4-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 1-(3-chlorophenyl)-5-hydroxy-2-methyl-4-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H22ClNO3S MolecularWeight: 451.96508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CSC3=CC=CC=C3)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CSC3=CC=CC=C3)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C25H22ClNO3S/c1-3-30-25(29)23-16(2)27(18-9-7-8-17(26)14-18)21-12-13-22(28)20(24(21)23)15-31-19-10-5-4-6-11-19/h4-14,28H,3,15H2,1-2H3