(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C23H18N2O7S2 MolecularWeight: 498.52822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)SC4=NC(=CS4)C)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)SC4=NC(=CS4)C)[N+](=O)[O-])O

InChI

InChI=1S/C23H18N2O7S2/c1-3-13-6-16-15(8-21(27)32-19(16)9-18(13)26)10-31-22(28)14-4-5-20(17(7-14)25(29)30)34-23-24-12(2)11-33-23/h4-9,11,26H,3,10H2,1-2H3