(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7S/c1-3-12-7-14-11(2)6-19(24)30-17(14)9-16(12)29-20(25)10-31-18-5-4-13(21(22)26)8-15(18)23(27)28/h4-9H,3,10H2,1-2H3,(H2,22,26)