ethyl (4S)-5-cyano-2-methyl-6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-2-methyl-6-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC3=NOC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CS2)C#N)SCC(=O)NC3=NOC(=C3)C)C

InChI

InChI=1S/C20H20N4O4S2/c1-4-27-20(26)17-12(3)22-19(13(9-21)18(17)14-6-5-7-29-14)30-10-16(25)23-15-8-11(2)28-24-15/h5-8,18,22H,4,10H2,1-3H3,(H,23,24,25)/t18-/m0/s1