3-[(E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[(E)-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)prop-2-enoyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(E)-3-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-1-oxoprop-2-enyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[(E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(E)-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)acryloyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C=CC(=O)C3=C(OC(=CC3=O)C)O

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)/C=C/C(=O)C3=C(OC(=CC3=O)C)O

InChI

InChI=1S/C18H16N2O4S/c1-10-8-13(12(3)20(10)18-19-6-7-25-18)4-5-14(21)16-15(22)9-11(2)24-17(16)23/h4-9,23H,1-3H3/b5-4+