ethyl 1-[[3-(4-chlorophenyl)sulfanyl-1H-indol-2-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[3-(4-chlorophenyl)sulfanyl-1H-indol-2-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(4-chlorophenyl)sulfanyl-1H-indole-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-[(4-chlorophenyl)thio]-1H-indol-2-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-chlorophenyl)sulfanyl-1H-indole-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-[(4-chlorophenyl)thio]-1H-indole-2-carbonyl]nipecotic acid ethyl ester Formula: C23H23ClN2O3S MolecularWeight: 442.95832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=CC=CC=C3N2)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=CC=CC=C3N2)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN2O3S/c1-2-29-23(28)15-6-5-13-26(14-15)22(27)20-21(18-7-3-4-8-19(18)25-20)30-17-11-9-16(24)10-12-17/h3-4,7-12,15,25H,2,5-6,13-14H2,1H3