morpholine; propan-2-yl 5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: morpholine; propan-2-yl 5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: isopropyl 5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; morpholine CAS Name: 5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid propan-2-yl ester; morpholine IUPAC Name: morpholine; propan-2-yl 5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid isopropyl ester; morpholine Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CN=CC=C2)C(=O)OC(C)C.C1COCCN1

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CN=CC=C2)C(=O)OC(C)C.C1COCCN1

InChI

InChI=1S/C16H17N3O2S.C4H9NO/c1-9(2)21-16(20)13-10(3)19-15(22)12(7-17)14(13)11-5-4-6-18-8-11;1-3-6-4-2-5-1/h4-6,8-9,14,19,22H,1-3H3;5H,1-4H2