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

Systemtic Name: ethyl 4-(dimethylaminomethyl)-5-oxidanyl-1-(phenylmethyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 4-(dimethylaminomethyl)-5-hydroxy-1-(phenylmethyl)-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 1-benzyl-4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3S/c1-4-33-28(32)27-24(19-34-21-13-9-6-10-14-21)30(17-20-11-7-5-8-12-20)23-15-16-25(31)22(26(23)27)18-29(2)3/h5-16,31H,4,17-19H2,1-3H3