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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

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