(4S)-3-ethanoyl-4-(furan-3-yl)-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4S)-3-ethanoyl-4-(furan-3-yl)-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-4-(3-furyl)-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-4-(3-furanyl)-2-methyl-6-[(3-nitrophenyl)methylthio]-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-4-(furan-3-yl)-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-4-(3-furyl)-2-methyl-6-[(3-nitrobenzyl)thio]-3,4-dihydropyridine-5-carbonitrile Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=COC=C2)C#N)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=COC=C2)C#N)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c1-12-18(13(2)24)19(15-6-7-27-10-15)17(9-21)20(22-12)28-11-14-4-3-5-16(8-14)23(25)26/h3-8,10,18-19H,11H2,1-2H3/t18?,19-/m0/s1