ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-(4-methoxyphenyl)-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-(4-methoxyphenyl)-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-(4-methoxyphenyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-(4-methoxyphenyl)-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-(4-methoxyphenyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-(4-methoxyphenyl)-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C28H29BrN2O4S MolecularWeight: 569.50986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29BrN2O4S/c1-5-35-28(33)26-24(17-36-20-9-7-6-8-10-20)31(18-11-13-19(34-4)14-12-18)23-15-22(29)27(32)21(25(23)26)16-30(2)3/h6-15,32H,5,16-17H2,1-4H3