4-methyl-3-[[2-phenyl-2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-methyl-3-[[2-phenyl-2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 4-methyl-3-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-phenyl-2-[[3-(2-thenoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C27H22N2O4S2 MolecularWeight: 502.60458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C27H22N2O4S2/c1-17-12-13-19(27(32)33)15-22(17)29-26(31)24(18-7-3-2-4-8-18)35-21-10-5-9-20(16-21)28-25(30)23-11-6-14-34-23/h2-16,24H,1H3,(H,28,30)(H,29,31)(H,32,33)