[2-ethoxy-6-nitro-4-[(5-oxidanylidene-2-prop-2-enylsulfanyl-1,3-thiazol-4-ylidene)methyl]phenyl] ethanoate

Systemtic Name: [2-ethoxy-6-nitro-4-[(5-oxidanylidene-2-prop-2-enylsulfanyl-1,3-thiazol-4-ylidene)methyl]phenyl] ethanoate Openeye Name: [4-[(2-allylsulfanyl-5-oxo-thiazol-4-ylidene)methyl]-2-ethoxy-6-nitro-phenyl] acetate CAS Name: acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester IUPAC Name: [2-ethoxy-6-nitro-4-[(5-oxo-2-prop-2-enylsulfanyl-1,3-thiazol-4-ylidene)methyl]phenyl] acetate Traditional Name: acetic acid [4-[[2-(allylthio)-5-keto-2-thiazolin-4-ylidene]methyl]-2-ethoxy-6-nitro-phenyl] ester Formula: C17H16N2O6S2 MolecularWeight: 408.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])C=C2C(=O)SC(=N2)SCC=C

Isomeric SMILES

CCOC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])C=C2C(=O)SC(=N2)SCC=C

InChI

InChI=1S/C17H16N2O6S2/c1-4-6-26-17-18-12(16(21)27-17)7-11-8-13(19(22)23)15(25-10(3)20)14(9-11)24-5-2/h4,7-9H,1,5-6H2,2-3H3