[1-(1,3-benzothiazol-2-yl)-2,3-dimethyl-4-oxidanylidene-cyclobut-2-en-1-yl] ethanoate

Systemtic Name: [1-(1,3-benzothiazol-2-yl)-2,3-dimethyl-4-oxidanylidene-cyclobut-2-en-1-yl] ethanoate Openeye Name: [1-(1,3-benzothiazol-2-yl)-2,3-dimethyl-4-oxo-cyclobut-2-en-1-yl] acetate CAS Name: acetic acid [1-(1,3-benzothiazol-2-yl)-2,3-dimethyl-4-oxo-1-cyclobut-2-enyl] ester IUPAC Name: [1-(1,3-benzothiazol-2-yl)-2,3-dimethyl-4-oxocyclobut-2-en-1-yl] acetate Traditional Name: acetic acid [1-(1,3-benzothiazol-2-yl)-4-keto-2,3-dimethyl-cyclobut-2-en-1-yl] ester Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C1=O)(C2=NC3=CC=CC=C3S2)OC(=O)C)C

Isomeric SMILES

CC1=C(C(C1=O)(C2=NC3=CC=CC=C3S2)OC(=O)C)C

InChI

InChI=1S/C15H13NO3S/c1-8-9(2)15(13(8)18,19-10(3)17)14-16-11-6-4-5-7-12(11)20-14/h4-7H,1-3H3