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

Systemtic Name: 4-chloranyl-3-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[3-(2-thenoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C21H17ClN2O4S2 MolecularWeight: 460.95368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H17ClN2O4S2/c1-12(19(25)24-17-10-13(21(27)28)7-8-16(17)22)30-15-5-2-4-14(11-15)23-20(26)18-6-3-9-29-18/h2-12H,1H3,(H,23,26)(H,24,25)(H,27,28)