(4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide

Systemtic Name: (4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4R)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxamide CAS Name: (4R)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4R)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4R)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2OC)C3=CC=CS3)C#N)SCC(=O)N

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)NC2=CC=CC=C2OC)C3=CC=CS3)C#N)SCC(=O)N

InChI

InChI=1S/C21H20N4O3S2/c1-12-18(20(27)25-14-6-3-4-7-15(14)28-2)19(16-8-5-9-29-16)13(10-22)21(24-12)30-11-17(23)26/h3-9,18-19H,11H2,1-2H3,(H2,23,26)(H,25,27)/t18?,19-/m1/s1