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

Systemtic Name: [6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxidanylidene-pyran-4-yl] thiophene-2-carboxylate Openeye Name: [6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxo-pyran-4-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [6-methyl-3-[(4-nitrophenyl)thio]-2-oxo-4-pyranyl] ester IUPAC Name: [6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxopyran-4-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-keto-6-methyl-3-[(4-nitrophenyl)thio]pyran-4-yl] ester Formula: C17H11NO6S2 MolecularWeight: 389.40234

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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=CS3

Isomeric SMILES

CC1=CC(=C(C(=O)O1)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CS3

InChI

InChI=1S/C17H11NO6S2/c1-10-9-13(24-16(19)14-3-2-8-25-14)15(17(20)23-10)26-12-6-4-11(5-7-12)18(21)22/h2-9H,1H3