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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)SCC(=O)NC3=NOC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)SCC(=O)NC3=NOC(=C3)C)C

InChI

InChI=1S/C22H22N4O4S/c1-4-29-22(28)19-14(3)24-21(16(11-23)20(19)15-8-6-5-7-9-15)31-12-18(27)25-17-10-13(2)30-26-17/h5-10,20,24H,4,12H2,1-3H3,(H,25,26,27)