4-chloranyl-3-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[3-(2-thenoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C20H15ClN2O4S2 MolecularWeight: 446.9271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H15ClN2O4S2/c21-15-7-6-12(20(26)27)9-16(15)23-18(24)11-29-14-4-1-3-13(10-14)22-19(25)17-5-2-8-28-17/h1-10H,11H2,(H,22,25)(H,23,24)(H,26,27)