ethyl 5-cyano-2-methyl-6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-3-yl-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-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-(3-pyridinyl)-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-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4S/c1-4-29-21(28)18-13(3)24-20(15(9-22)19(18)14-6-5-7-23-10-14)31-11-17(27)25-16-8-12(2)30-26-16/h5-8,10,19,24H,4,11H2,1-3H3,(H,25,26,27)