[2-ethoxy-4-[(E)-(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,4-dinitrobenzoate

Systemtic Name: [2-ethoxy-4-[(E)-(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,4-dinitrobenzoate Openeye Name: [2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2-ethoxy-4-[(E)-(4-keto-3-methyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C20H15N3O8S2 MolecularWeight: 489.4784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O8S2/c1-3-30-16-8-11(9-17-18(24)21(2)20(32)33-17)4-7-15(16)31-19(25)13-6-5-12(22(26)27)10-14(13)23(28)29/h4-10H,3H2,1-2H3/b17-9+