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

Systemtic Name: 3-(diethylamino)propyl 6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: 3-(diethylamino)propyl 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 3-(diethylamino)propyl ester IUPAC Name: 3-(diethylamino)propyl 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 3-(diethylamino)propyl ester Formula: C25H31BrN2O3S MolecularWeight: 519.49424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31BrN2O3S/c1-5-28(6-2)13-10-14-31-25(29)24-19-15-23(30-4)20(26)16-21(19)27(3)22(24)17-32-18-11-8-7-9-12-18/h7-9,11-12,15-16H,5-6,10,13-14,17H2,1-4H3