methyl 4-[(E)-3-oxidanylideneprop-1-enyl]-1,2-thiazole-3-carboxylate

Systemtic Name: methyl 4-[(E)-3-oxidanylideneprop-1-enyl]-1,2-thiazole-3-carboxylate Openeye Name: methyl 4-[(E)-3-oxoprop-1-enyl]isothiazole-3-carboxylate CAS Name: 4-[(E)-3-oxoprop-1-enyl]-3-isothiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxoprop-1-enyl]-1,2-thiazole-3-carboxylate Traditional Name: 4-[(E)-3-ketoprop-1-enyl]isothiazole-3-carboxylic acid methyl ester Formula: C8H7NO3S MolecularWeight: 197.21108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NSC=C1C=CC=O

Isomeric SMILES

COC(=O)C1=NSC=C1/C=C/C=O

InChI

InChI=1S/C8H7NO3S/c1-12-8(11)7-6(3-2-4-10)5-13-9-7/h2-5H,1H3/b3-2+