ethyl (4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4R)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-4-(4-pyridyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-4-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-4-(4-pyridyl)-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)SCC(=O)N)C#N)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)SCC(=O)N)C#N)C2=CC=NC=C2

InChI

InChI=1S/C17H18N4O3S/c1-3-24-17(23)14-10(2)21-16(25-9-13(19)22)12(8-18)15(14)11-4-6-20-7-5-11/h4-7,14-15H,3,9H2,1-2H3,(H2,19,22)/t14?,15-/m1/s1