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

Systemtic Name: morpholine; (phenylmethyl) 5-cyano-2-methyl-6-sulfanyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 5-cyano-2-methyl-6-sulfanyl-4-(3-thienyl)-1,4-dihydropyridine-3-carboxylate; morpholine CAS Name: 5-cyano-6-mercapto-2-methyl-4-(3-thiophenyl)-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester; morpholine IUPAC Name: benzyl 5-cyano-2-methyl-6-sulfanyl-4-thiophen-3-yl-1,4-dihydropyridine-3-carboxylate; morpholine Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(3-thienyl)-1,4-dihydropyridine-3-carboxylic acid benzyl ester; morpholine Formula: C23H25N3O3S2 MolecularWeight: 455.5929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CSC=C2)C(=O)OCC3=CC=CC=C3.C1COCCN1

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CSC=C2)C(=O)OCC3=CC=CC=C3.C1COCCN1

InChI

InChI=1S/C19H16N2O2S2.C4H9NO/c1-12-16(19(22)23-10-13-5-3-2-4-6-13)17(14-7-8-25-11-14)15(9-20)18(24)21-12;1-3-6-4-2-5-1/h2-8,11,17,21,24H,10H2,1H3;5H,1-4H2