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

Systemtic Name: [4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzoate Openeye Name: [4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C17H10N2O5S2 MolecularWeight: 386.4017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10N2O5S2/c20-15-14(26-17(25)18-15)9-10-5-7-11(8-6-10)24-16(21)12-3-1-2-4-13(12)19(22)23/h1-9H,(H,18,20,25)