[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,5-dimethylphenyl)thio]nicotinic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3CCCC3

InChI

InChI=1S/C21H24N2O3S/c1-14-9-10-15(2)18(12-14)27-20-17(8-5-11-22-20)21(25)26-13-19(24)23-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,23,24)