[2-methoxy-6-nitro-4-[[5-oxidanylidene-2-(phenylmethylsulfanyl)-1,3-thiazol-4-ylidene]methyl]phenyl] ethanoate

Systemtic Name: [2-methoxy-6-nitro-4-[[5-oxidanylidene-2-(phenylmethylsulfanyl)-1,3-thiazol-4-ylidene]methyl]phenyl] ethanoate Openeye Name: [4-[(2-benzylsulfanyl-5-oxo-thiazol-4-ylidene)methyl]-2-methoxy-6-nitro-phenyl] acetate CAS Name: acetic acid [2-methoxy-6-nitro-4-[[5-oxo-2-(phenylmethylthio)-4-thiazolylidene]methyl]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-5-oxo-1,3-thiazol-4-ylidene)methyl]-2-methoxy-6-nitrophenyl] acetate Traditional Name: acetic acid [4-[[2-(benzylthio)-5-keto-2-thiazolin-4-ylidene]methyl]-2-methoxy-6-nitro-phenyl] ester Formula: C20H16N2O6S2 MolecularWeight: 444.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C=C2C(=O)SC(=N2)SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)C=C2C(=O)SC(=N2)SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O6S2/c1-12(23)28-18-16(22(25)26)9-14(10-17(18)27-2)8-15-19(24)30-20(21-15)29-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3