6-methyl-3-[(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]pyran-2,4-dione

Systemtic Name: 6-methyl-3-[(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]pyran-2,4-dione Openeye Name: 6-methyl-3-[(E)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enoyl]pyran-2,4-dione CAS Name: 6-methyl-3-[(E)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-1-oxoprop-2-enyl]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enoyl]pyran-2,4-dione Traditional Name: 6-methyl-3-[(E)-3-[3-nitro-4-(p-tolylthio)phenyl]acryloyl]pyran-2,4-quinone Formula: C22H17NO6S MolecularWeight: 423.43848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=CC(=O)C3C(=O)C=C(OC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C/C(=O)C3C(=O)C=C(OC3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO6S/c1-13-3-7-16(8-4-13)30-20-10-6-15(12-17(20)23(27)28)5-9-18(24)21-19(25)11-14(2)29-22(21)26/h3-12,21H,1-2H3/b9-5+