2-dimethylaminoethyl 6-bromanyl-5-methoxy-1-(phenylmethyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: 2-dimethylaminoethyl 6-bromanyl-5-methoxy-1-(phenylmethyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: 2-dimethylaminoethyl 1-benzyl-6-bromo-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-(phenylmethyl)-2-[(phenylthio)methyl]-3-indolecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 1-benzyl-6-bromo-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-5-methoxy-2-[(phenylthio)methyl]indole-3-carboxylic acid 2-dimethylaminoethyl ester Formula: C28H29BrN2O3S MolecularWeight: 553.51046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

CN(C)CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)CC3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C28H29BrN2O3S/c1-30(2)14-15-34-28(32)27-22-16-26(33-3)23(29)17-24(22)31(18-20-10-6-4-7-11-20)25(27)19-35-21-12-8-5-9-13-21/h4-13,16-17H,14-15,18-19H2,1-3H3