[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-[(4-methoxy-4-oxo-butyl)amino]-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid [2-keto-2-[(4-keto-4-methoxy-butyl)amino]ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NCCCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NCCCC(=O)OC)C

InChI

InChI=1S/C21H24N2O5S/c1-14-8-9-16(12-15(14)2)29-20-17(6-4-11-23-20)21(26)28-13-18(24)22-10-5-7-19(25)27-3/h4,6,8-9,11-12H,5,7,10,13H2,1-3H3,(H,22,24)