methyl 2-oxidanylidene-4,5,6,7-tetrahydro-3H-1,3-benzothiazole-4-carboxylate

Systemtic Name: methyl 2-oxidanylidene-4,5,6,7-tetrahydro-3H-1,3-benzothiazole-4-carboxylate Openeye Name: methyl 2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazole-4-carboxylate CAS Name: 2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazole-4-carboxylate Traditional Name: 2-keto-4,5,6,7-tetrahydro-3H-1,3-benzothiazole-4-carboxylic acid methyl ester Formula: C9H11NO3S MolecularWeight: 213.25354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC2=C1NC(=O)S2

Isomeric SMILES

COC(=O)C1CCCC2=C1NC(=O)S2

InChI

InChI=1S/C9H11NO3S/c1-13-8(11)5-3-2-4-6-7(5)10-9(12)14-6/h5H,2-4H2,1H3,(H,10,12)