5-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[3-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[3-(1,3-benzoxazol-2-ylthio)propanoylamino]-2-chloro-benzoic acid Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O4S/c18-12-6-5-10(9-11(12)16(22)23)19-15(21)7-8-25-17-20-13-3-1-2-4-14(13)24-17/h1-6,9H,7-8H2,(H,19,21)(H,22,23)