2-[[6-[(2-methylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-[(2-methylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-[(2-methylbenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[[(2-methylphenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[6-[(2-methylbenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(o-toluoylamino)-1,3-benzothiazol-2-yl]thio]acetic acid Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)O

InChI

InChI=1S/C17H14N2O3S2/c1-10-4-2-3-5-12(10)16(22)18-11-6-7-13-14(8-11)24-17(19-13)23-9-15(20)21/h2-8H,9H2,1H3,(H,18,22)(H,20,21)