ethyl 5-oxidanyl-1-(phenylmethyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-oxidanyl-1-(phenylmethyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-1-(phenylmethyl)-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 1-benzyl-5-hydroxy-2-[(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)CC3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CC3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C25H23NO3S/c1-2-29-25(28)24-21-15-19(27)13-14-22(21)26(16-18-9-5-3-6-10-18)23(24)17-30-20-11-7-4-8-12-20/h3-15,27H,2,16-17H2,1H3