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

Systemtic Name: 2-dimethylaminoethyl 6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: 2-dimethylaminoethyl 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-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 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-dimethylaminoethyl ester Formula: C22H25BrN2O3S MolecularWeight: 477.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)OCCN(C)C)OC)Br

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)OCCN(C)C)OC)Br

InChI

InChI=1S/C22H25BrN2O3S/c1-24(2)10-11-28-22(26)21-16-12-20(27-4)17(23)13-18(16)25(3)19(21)14-29-15-8-6-5-7-9-15/h5-9,12-13H,10-11,14H2,1-4H3