(4S)-5-ethanoyl-2-(2-ethoxyethylsulfanyl)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-5-ethanoyl-2-(2-ethoxyethylsulfanyl)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-2-(2-ethoxyethylsulfanyl)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-2-(2-ethoxyethylthio)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-2-(2-ethoxyethylsulfanyl)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-2-(2-ethoxyethylthio)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NC(=C(C(C1C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C

Isomeric SMILES

CCOCCSC1=NC(=C([C@@H](C1C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C

InChI

InChI=1S/C19H21N3O4S/c1-4-26-8-9-27-19-16(11-20)18(17(13(3)23)12(2)21-19)14-6-5-7-15(10-14)22(24)25/h5-7,10,16,18H,4,8-9H2,1-3H3/t16?,18-/m1/s1