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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14N2O3S2/c20-15(18-9-11-4-3-5-12(8-11)16(21)22)10-23-17-19-13-6-1-2-7-14(13)24-17/h1-8H,9-10H2,(H,18,20)(H,21,22)