3-(2-methyl-1,3-benzothiazol-6-yl)prop-2-ynoic acid

Systemtic Name: 3-(2-methyl-1,3-benzothiazol-6-yl)prop-2-ynoic acid Openeye Name: 3-(2-methyl-1,3-benzothiazol-6-yl)prop-2-ynoic acid CAS Name: 3-(2-methyl-1,3-benzothiazol-6-yl)-2-propynoic acid IUPAC Name: 3-(2-methyl-1,3-benzothiazol-6-yl)prop-2-ynoic acid Traditional Name: 3-(2-methyl-1,3-benzothiazol-6-yl)propiolic acid Formula: C11H7NO2S MolecularWeight: 217.24378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)C#CC(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)C#CC(=O)O

InChI

InChI=1S/C11H7NO2S/c1-7-12-9-4-2-8(3-5-11(13)14)6-10(9)15-7/h2,4,6H,1H3,(H,13,14)