(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO6S/c1-2-13-3-8-17-14(10-19(22)27-18(17)9-13)11-26-20(23)12-28-16-6-4-15(5-7-16)21(24)25/h3-10H,2,11-12H2,1H3