methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N4O4S/c1-12-9-16(25-29-12)24-17(26)11-30-20-15(10-22)19(14-7-5-4-6-8-14)18(13(2)23-20)21(27)28-3/h4-9,19,23H,11H2,1-3H3,(H,24,25,26)