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

Systemtic Name: ethyl 6-bromanyl-4-(diethylaminomethyl)-1-methyl-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carboxylate Openeye Name: ethyl 2-(benzylsulfanylmethyl)-6-bromo-4-(diethylaminomethyl)-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-4-(diethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylmethylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylsulfanylmethyl)-6-bromo-4-(diethylaminomethyl)-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 2-[(benzylthio)methyl]-6-bromo-4-(diethylaminomethyl)-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C25H31BrN2O3S MolecularWeight: 519.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C2C(=CC(=C1O)Br)N(C(=C2C(=O)OCC)CSCC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)CC1=C2C(=CC(=C1O)Br)N(C(=C2C(=O)OCC)CSCC3=CC=CC=C3)C

InChI

InChI=1S/C25H31BrN2O3S/c1-5-28(6-2)14-18-22-20(13-19(26)24(18)29)27(4)21(23(22)25(30)31-7-3)16-32-15-17-11-9-8-10-12-17/h8-13,29H,5-7,14-16H2,1-4H3