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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (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 (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (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 (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H14N2O7S2 MolecularWeight: 470.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O7S2/c1-11-10-31-21(22-11)32-18-5-2-12(6-16(18)23(27)28)20(26)29-9-13-7-19(25)30-17-8-14(24)3-4-15(13)17/h2-8,10,24H,9H2,1H3