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

Systemtic Name: 2-dimethylaminoethyl 6-bromanyl-1-cyclohexyl-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: 2-dimethylaminoethyl 6-bromo-1-cyclohexyl-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclohexyl-5-methoxy-2-[(phenylthio)methyl]-3-indolecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 6-bromo-1-cyclohexyl-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclohexyl-5-methoxy-2-[(phenylthio)methyl]indole-3-carboxylic acid 2-dimethylaminoethyl ester Formula: C27H33BrN2O3S MolecularWeight: 545.53152

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3CCCCC3)CSC4=CC=CC=C4

Isomeric SMILES

CN(C)CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3CCCCC3)CSC4=CC=CC=C4

InChI

InChI=1S/C27H33BrN2O3S/c1-29(2)14-15-33-27(31)26-21-16-25(32-3)22(28)17-23(21)30(19-10-6-4-7-11-19)24(26)18-34-20-12-8-5-9-13-20/h5,8-9,12-13,16-17,19H,4,6-7,10-11,14-15,18H2,1-3H3