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

Systemtic Name: ethyl 2-methyl-5-oxidanyl-1-phenyl-4-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-1-phenyl-4-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-phenyl-4-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-1-phenyl-4-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-phenyl-4-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H23NO3S MolecularWeight: 417.52002

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO3S/c1-3-29-25(28)23-17(2)26(18-10-6-4-7-11-18)21-14-15-22(27)20(24(21)23)16-30-19-12-8-5-9-13-19/h4-15,27H,3,16H2,1-2H3