ethyl 2-[(4-aminocarbonyl-6-chloranyl-4,5-dicyano-3,3-diethyl-1,2-dihydropyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4-aminocarbonyl-6-chloranyl-4,5-dicyano-3,3-diethyl-1,2-dihydropyridin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-carbamoyl-6-chloro-4,5-dicyano-3,3-diethyl-1,2-dihydropyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(4-carbamoyl-6-chloro-4,5-dicyano-3,3-diethyl-1,2-dihydropyridin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-carbamoyl-6-chloro-4,5-dicyano-3,3-diethyl-1,2-dihydropyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-carbamoyl-6-chloro-4,5-dicyano-3,3-diethyl-1,2-dihydropyridin-2-yl)thio]acetic acid ethyl ester Formula: C16H21ClN4O3S MolecularWeight: 384.88094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(NC(=C(C1(C#N)C(=O)N)C#N)Cl)SCC(=O)OCC)CC

Isomeric SMILES

CCC1(C(NC(=C(C1(C#N)C(=O)N)C#N)Cl)SCC(=O)OCC)CC

InChI

InChI=1S/C16H21ClN4O3S/c1-4-15(5-2)14(25-8-11(22)24-6-3)21-12(17)10(7-18)16(15,9-19)13(20)23/h14,21H,4-6,8H2,1-3H3,(H2,20,23)