4-[[[4-(4-methylsulfanylphenyl)thiophen-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(4-methylsulfanylphenyl)thiophen-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(4-methylsulfanylphenyl)thiophene-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[4-[4-(methylthio)phenyl]-2-thiophenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(4-methylsulfanylphenyl)thiophene-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-(methylthio)phenyl]thiophene-2-carbonyl]amino]methyl]benzoic acid Formula: C20H17NO3S2 MolecularWeight: 383.48388

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CSC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CSC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H17NO3S2/c1-25-17-8-6-14(7-9-17)16-10-18(26-12-16)19(22)21-11-13-2-4-15(5-3-13)20(23)24/h2-10,12H,11H2,1H3,(H,21,22)(H,23,24)