ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(4-butoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(4-butoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-(2-amino-2-oxo-ethyl)sulfanyl-4-(4-butoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxoethyl)thio]-4-(4-butoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(4-butoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-4-(4-butoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC)C)SCC(=O)N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC)C)SCC(=O)N)C#N

InChI

InChI=1S/C22H27N3O4S/c1-4-6-11-29-16-9-7-15(8-10-16)20-17(12-23)21(30-13-18(24)26)25-14(3)19(20)22(27)28-5-2/h7-10,20,25H,4-6,11,13H2,1-3H3,(H2,24,26)