5-[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enoyl]-6-oxidanyl-1,3-thiazine-2,4-dione

Systemtic Name: 5-[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enoyl]-6-oxidanyl-1,3-thiazine-2,4-dione Openeye Name: 5-[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enoyl]-6-hydroxy-1,3-thiazine-2,4-dione CAS Name: 5-[(E)-3-(1-ethyl-5-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-6-hydroxy-1,3-thiazine-2,4-dione IUPAC Name: 5-[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]-6-hydroxy-1,3-thiazine-2,4-dione Traditional Name: 5-[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)acryloyl]-6-hydroxy-1,3-thiazine-2,4-quinone Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C=CC(=O)C2=C(SC(=O)NC2=O)O)C

Isomeric SMILES

CCN1C(=C(C=N1)/C=C/C(=O)C2=C(SC(=O)NC2=O)O)C

InChI

InChI=1S/C13H13N3O4S/c1-3-16-7(2)8(6-14-16)4-5-9(17)10-11(18)15-13(20)21-12(10)19/h4-6,19H,3H2,1-2H3,(H,15,18,20)/b5-4+