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

Systemtic Name: [4-[(E)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methyl-5-nitro-benzoate Openeye Name: [4-[(E)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-methyl-5-nitro-benzoate CAS Name: 3-methyl-5-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] 3-methyl-5-nitrobenzoate Traditional Name: 3-methyl-5-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=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=S)S3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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