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

Systemtic Name: propan-2-yl 5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; thiomorpholine Openeye Name: isopropyl 5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; thiomorpholine CAS Name: 5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid propan-2-yl ester; thiomorpholine IUPAC Name: propan-2-yl 5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; thiomorpholine Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid isopropyl ester; thiomorpholine Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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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.C1CSCCN1

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CN=CC=C2)C(=O)OC(C)C.C1CSCCN1

InChI

InChI=1S/C16H17N3O2S.C4H9NS/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