ethyl 4-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]pyridine-3-carboxylate

Systemtic Name: ethyl 4-[(2-ethoxy-2-oxidanylidene-ethyl)sulfanylmethyl]pyridine-3-carboxylate Openeye Name: ethyl 4-[(2-ethoxy-2-oxo-ethyl)sulfanylmethyl]pyridine-3-carboxylate CAS Name: 4-[[(2-ethoxy-2-oxoethyl)thio]methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]pyridine-3-carboxylate Traditional Name: 4-[[(2-ethoxy-2-keto-ethyl)thio]methyl]nicotinic acid ethyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=C(C=NC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)CSCC1=C(C=NC=C1)C(=O)OCC

InChI

InChI=1S/C13H17NO4S/c1-3-17-12(15)9-19-8-10-5-6-14-7-11(10)13(16)18-4-2/h5-7H,3-4,8-9H2,1-2H3