(4-ethoxycarbonylphenyl) 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (4-ethoxycarbonylphenyl) 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpyridine-3-carboxylate Openeye Name: (4-ethoxycarbonylphenyl) 2-(2-amino-2-oxo-ethyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-3-pyridinecarboxylic acid (4-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) 2-(2-amino-2-oxoethyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]nicotinic acid (4-carbethoxyphenyl) ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(N=CC=C2)SCC(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(N=CC=C2)SCC(=O)N

InChI

InChI=1S/C17H16N2O5S/c1-2-23-16(21)11-5-7-12(8-6-11)24-17(22)13-4-3-9-19-15(13)25-10-14(18)20/h3-9H,2,10H2,1H3,(H2,18,20)