2-[[4-(4-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl]carbothioyloxy]ethyl ethanoate

Systemtic Name: 2-[[4-(4-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl]carbothioyloxy]ethyl ethanoate Openeye Name: 2-[4-(4-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioyl]oxyethyl acetate CAS Name: acetic acid 2-[[4-(4-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl]-sulfanylidenemethoxy]ethyl ester IUPAC Name: 2-[4-(4-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioyl]oxyethyl acetate Traditional Name: acetic acid 2-[4-(4-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioyl]oxyethyl ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=C(C=C2)Cl)C(=S)OCCOC(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=C(C=C2)Cl)C(=S)OCCOC(=O)C

InChI

InChI=1S/C18H19ClN2O5S/c1-10-15(18(27)26-9-8-25-12(3)22)16(13-4-6-14(19)7-5-13)17(21(23)24)11(2)20-10/h4-7,16,20H,8-9H2,1-3H3