4-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]benzoic acid

Systemtic Name: 4-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]benzoic acid Openeye Name: 4-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]benzoic acid CAS Name: 4-[[3-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]benzoic acid Traditional Name: 4-[3-(1,3-benzoxazol-2-ylthio)propanoylamino]benzoic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N2O4S/c20-15(18-12-7-5-11(6-8-12)16(21)22)9-10-24-17-19-13-3-1-2-4-14(13)23-17/h1-8H,9-10H2,(H,18,20)(H,21,22)