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

Systemtic Name: [2-ethoxy-3-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-ethoxy-3-nitro-phenyl] acetate CAS Name: acetic acid [2-ethoxy-3-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-ethoxy-3-nitrophenyl] acetate Traditional Name: acetic acid [4-[[2-(benzylthio)-5-keto-2-thiazolin-4-ylidene]methyl]-2-ethoxy-3-nitro-phenyl] ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1[N+](=O)[O-])C=C2C(=O)SC(=N2)SCC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1[N+](=O)[O-])C=C2C(=O)SC(=N2)SCC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C21H18N2O6S2/c1-3-28-19-17(29-13(2)24)10-9-15(18(19)23(26)27)11-16-20(25)31-21(22-16)30-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3