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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC4=C(C=C3)N(C=C4)C)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)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)20-6-5-12-29(16-20)25(30)17(2)18-7-10-24(22(27)15-18)33-21-8-9-23-19(14-21)11-13-28(23)3/h7-11,13-15,20H,2,4-6,12,16H2,1,3H3