ethyl 5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; morpholine

Systemtic Name: ethyl 5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; morpholine Openeye Name: ethyl 5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; morpholine CAS Name: 5-cyano-6-mercapto-2-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester; morpholine IUPAC Name: ethyl 5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; morpholine Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester; morpholine Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C#N)S)C.C1COCCN1

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C#N)S)C.C1COCCN1

InChI

InChI=1S/C16H15N3O4S.C4H9NO/c1-3-23-16(20)13-9(2)18-15(24)11(8-17)14(13)10-6-4-5-7-12(10)19(21)22;1-3-6-4-2-5-1/h4-7,14,18,24H,3H2,1-2H3;5H,1-4H2