(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

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