ethyl 1-[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC=C(C=C2)SC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC=C(C=C2)SC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C24H30N2O3S/c1-4-29-24(28)19-6-5-13-26(15-19)16-23(27)25-20-9-11-21(12-10-20)30-22-14-17(2)7-8-18(22)3/h7-12,14,19H,4-6,13,15-16H2,1-3H3,(H,25,27)