ethyl 1-[2-[3-chloranyl-4-(1-methylindol-5-yl)sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[3-chloranyl-4-(1-methylindol-5-yl)sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-chloro-4-(1-methylindol-5-yl)sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[2-[3-chloro-4-[(1-methyl-5-indolyl)thio]phenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-chloro-4-(1-methylindol-5-yl)sulfanylphenyl]prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-chloro-4-[(1-methylindol-5-yl)thio]phenyl]acryloyl]isonipecotic acid ethyl ester Formula: C26H27ClN2O3S MolecularWeight: 483.02218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)N(C=C4)C)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)N(C=C4)C)Cl

InChI

InChI=1S/C26H27ClN2O3S/c1-4-32-26(31)18-10-13-29(14-11-18)25(30)17(2)19-5-8-24(22(27)16-19)33-21-6-7-23-20(15-21)9-12-28(23)3/h5-9,12,15-16,18H,2,4,10-11,13-14H2,1,3H3