ethyl 6-bromanyl-5-oxidanyl-1-(phenylmethyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-oxidanyl-1-(phenylmethyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-(phenylmethyl)-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-5-hydroxy-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H22BrNO3S MolecularWeight: 496.41608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C25H22BrNO3S/c1-2-30-25(29)24-19-13-23(28)20(26)14-21(19)27(15-17-9-5-3-6-10-17)22(24)16-31-18-11-7-4-8-12-18/h3-14,28H,2,15-16H2,1H3