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

Systemtic Name: [2-ethoxy-4-[(E)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-ethoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-ethoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-ethoxy-phenyl] ester Formula: C22H18N2O6S2 MolecularWeight: 470.51812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O6S2/c1-3-10-23-20(25)19(32-22(23)31)12-14-8-9-17(18(11-14)29-4-2)30-21(26)15-6-5-7-16(13-15)24(27)28/h3,5-9,11-13H,1,4,10H2,2H3/b19-12+