2-diethylaminoethyl 6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: 2-diethylaminoethyl 6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: 2-diethylaminoethyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid 2-diethylaminoethyl ester Formula: C24H29BrN2O3S MolecularWeight: 505.46766

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC=CC=C3

InChI

InChI=1S/C24H29BrN2O3S/c1-5-27(6-2)12-13-30-24(28)23-18-14-22(29-4)19(25)15-20(18)26(3)21(23)16-31-17-10-8-7-9-11-17/h7-11,14-15H,5-6,12-13,16H2,1-4H3