(3-oxidanylidenecyclohexen-1-yl) 3,4-dimethyl-2-oxidanylidene-1,3-benzothiazole-5-carboxylate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 3,4-dimethyl-2-oxidanylidene-1,3-benzothiazole-5-carboxylate Openeye Name: (3-oxocyclohexen-1-yl) 3,4-dimethyl-2-oxo-1,3-benzothiazole-5-carboxylate CAS Name: 3,4-dimethyl-2-oxo-1,3-benzothiazole-5-carboxylic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 3,4-dimethyl-2-oxo-1,3-benzothiazole-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-1,3-benzothiazole-5-carboxylic acid (3-ketocyclohexen-1-yl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=O)S2)C)C(=O)OC3=CC(=O)CCC3

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=O)S2)C)C(=O)OC3=CC(=O)CCC3

InChI

InChI=1S/C16H15NO4S/c1-9-12(6-7-13-14(9)17(2)16(20)22-13)15(19)21-11-5-3-4-10(18)8-11/h6-8H,3-5H2,1-2H3