ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carboxylate Openeye Name: ethyl 2-(benzylsulfanylmethyl)-6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylmethylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylsulfanylmethyl)-6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 2-[(benzylthio)methyl]-6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C23H27BrN2O3S MolecularWeight: 491.44108

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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)C)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H27BrN2O3S/c1-5-29-23(28)21-19(14-30-13-15-9-7-6-8-10-15)26(4)18-11-17(24)22(27)16(20(18)21)12-25(2)3/h6-11,27H,5,12-14H2,1-4H3