[6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxidanylidene-pyran-4-yl] benzoate

Systemtic Name: [6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxidanylidene-pyran-4-yl] benzoate Openeye Name: [6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxo-pyran-4-yl] benzoate CAS Name: benzoic acid [6-methyl-3-[(4-nitrophenyl)thio]-2-oxo-4-pyranyl] ester IUPAC Name: [6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxopyran-4-yl] benzoate Traditional Name: benzoic acid [2-keto-6-methyl-3-[(4-nitrophenyl)thio]pyran-4-yl] ester Formula: C19H13NO6S MolecularWeight: 383.37462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)O1)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=O)O1)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H13NO6S/c1-12-11-16(26-18(21)13-5-3-2-4-6-13)17(19(22)25-12)27-15-9-7-14(8-10-15)20(23)24/h2-11H,1H3