3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4-methyl-benzoic acid Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

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