O3-ethyl O5-methyl 1-(2-formamidoethyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 1-(2-formamidoethyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 1-(2-formamidoethyl)-6-methyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: 1-(2-formamidoethyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 1-(2-formamidoethyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 1-(2-formamidoethyl)-6-methyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N(C1=S)CCNC=O)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(C(=C(N(C1=S)CCNC=O)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S/c1-4-30-20(26)17-16(13-6-5-7-14(10-13)23(27)28)15(19(25)29-3)12(2)22(18(17)31)9-8-21-11-24/h5-7,10-11,16-17H,4,8-9H2,1-3H3,(H,21,24)