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

Systemtic Name: [4-[(E)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-[(E)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[(E)-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-[(E)-(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C18H12N2O5S2 MolecularWeight: 400.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=S)S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/3\C(=O)NC(=S)S3)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O5S2/c1-10-2-5-12(9-14(10)20(23)24)17(22)25-13-6-3-11(4-7-13)8-15-16(21)19-18(26)27-15/h2-9H,1H3,(H,19,21,26)/b15-8+