ethyl 2-azanyl-5-cyano-6-[4-ethoxy-2,4-bis(oxidanylidene)butyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-cyano-6-[4-ethoxy-2,4-bis(oxidanylidene)butyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 2-amino-5-cyano-6-(4-ethoxy-2,4-dioxo-butyl)sulfanyl-pyridine-3-carboxylate CAS Name: 2-amino-5-cyano-6-[(4-ethoxy-2,4-dioxobutyl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-cyano-6-(4-ethoxy-2,4-dioxobutyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-amino-5-cyano-6-[(4-ethoxy-2,4-diketo-butyl)thio]nicotinic acid ethyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)N

InChI

InChI=1S/C15H17N3O5S/c1-3-22-12(20)6-10(19)8-24-14-9(7-16)5-11(13(17)18-14)15(21)23-4-2/h5H,3-4,6,8H2,1-2H3,(H2,17,18)