(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C25H19NO7S MolecularWeight: 477.48586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H19NO7S/c1-15-3-7-19(8-4-15)34-23-10-5-16(11-21(23)26(29)30)25(28)32-14-17-12-24(27)33-22-13-18(31-2)6-9-20(17)22/h3-13H,14H2,1-2H3