[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C19H20N2O5S/c1-4-25-19(24)21-16(22)11-26-18(23)15-6-5-9-20-17(15)27-14-8-7-12(2)13(3)10-14/h5-10H,4,11H2,1-3H3,(H,21,22,24)