morpholine; prop-2-enyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: morpholine; prop-2-enyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; morpholine CAS Name: 5-cyano-6-mercapto-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester; morpholine IUPAC Name: morpholine; prop-2-enyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-carbomethoxyphenyl)-5-cyano-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester; morpholine Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S.C4H9NO/c1-4-9-25-19(23)15-11(2)21-17(26)14(10-20)16(15)12-5-7-13(8-6-12)18(22)24-3;1-3-6-4-2-5-1/h4-8,16,21,26H,1,9H2,2-3H3;5H,1-4H2