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

Systemtic Name: (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(furan-3-yl)-N-(2-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(3-furyl)-N-(2-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxamide CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(3-furanyl)-N-(2-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(furan-3-yl)-N-(2-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-(3-furyl)-N-(2-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-12-18(20(27)25-15-5-3-4-6-16(15)28-2)19(13-7-8-29-10-13)14(9-22)21(24-12)30-11-17(23)26/h3-8,10,18-19H,11H2,1-2H3,(H2,23,26)(H,25,27)/t18?,19-/m0/s1