(4S)-3-cyano-2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-6-methyl-3,4-dihydropyridine-5-carboxamide

Systemtic Name: (4S)-3-cyano-2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-6-methyl-3,4-dihydropyridine-5-carboxamide Openeye Name: (4S)-3-cyano-2-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-6-methyl-3,4-dihydropyridine-5-carboxamide CAS Name: (4S)-3-cyano-2-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]-4-(2-furanyl)-6-methyl-3,4-dihydropyridine-5-carboxamide IUPAC Name: (4S)-3-cyano-2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-6-methyl-3,4-dihydropyridine-5-carboxamide Traditional Name: (4S)-3-cyano-2-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]-4-(2-furyl)-6-methyl-3,4-dihydropyridine-5-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC(=C(C(C2C#N)C3=CC=CO3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC(=C([C@H](C2C#N)C3=CC=CO3)C(=O)N)C

InChI

InChI=1S/C22H22N4O3S/c1-12-6-7-13(2)16(9-12)26-18(27)11-30-22-15(10-23)20(17-5-4-8-29-17)19(21(24)28)14(3)25-22/h4-9,15,20H,11H2,1-3H3,(H2,24,28)(H,26,27)/t15?,20-/m1/s1