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

Systemtic Name: ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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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)SCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC(=CC=C2)[N+](=O)[O-])C#N)SCC(=O)N)C

InChI

InChI=1S/C18H18N4O5S/c1-3-27-18(24)15-10(2)21-17(28-9-14(20)23)13(8-19)16(15)11-5-4-6-12(7-11)22(25)26/h4-7,16,21H,3,9H2,1-2H3,(H2,20,23)/t16-/m1/s1