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

Systemtic Name: methyl 5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate; morpholine Openeye Name: methyl 5-cyano-2-methyl-6-sulfanyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate; morpholine CAS Name: 5-cyano-6-mercapto-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid methyl ester; morpholine IUPAC Name: methyl 5-cyano-2-methyl-6-sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate; morpholine Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester; morpholine Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CC=CS2)C(=O)OC.C1COCCN1

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CC=CS2)C(=O)OC.C1COCCN1

InChI

InChI=1S/C13H12N2O2S2.C4H9NO/c1-7-10(13(16)17-2)11(9-4-3-5-19-9)8(6-14)12(18)15-7;1-3-6-4-2-5-1/h3-5,11,15,18H,1-2H3;5H,1-4H2