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

Systemtic Name: ethyl 4-(dimethylaminomethyl)-5-oxidanyl-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 4-(dimethylaminomethyl)-5-hydroxy-1-phenyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 4-(dimethylaminomethyl)-5-hydroxy-1-phenyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3S/c1-4-32-27(31)26-23(18-33-20-13-9-6-10-14-20)29(19-11-7-5-8-12-19)22-15-16-24(30)21(25(22)26)17-28(2)3/h5-16,30H,4,17-18H2,1-3H3