2-[[2-[(4-methoxycarbonyl-2,5-dihydrothiophen-3-yl)amino]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[(4-methoxycarbonyl-2,5-dihydrothiophen-3-yl)amino]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[(4-methoxycarbonyl-2,5-dihydrothiophen-3-yl)amino]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[2-[(4-methoxycarbonyl-2,5-dihydrothiophen-3-yl)amino]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[(4-methoxycarbonyl-2,5-dihydrothiophen-3-yl)amino]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[(4-carbomethoxy-2,5-dihydrothiophen-3-yl)amino]phenyl]carbamoyl]benzoic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H18N2O5S/c1-27-20(26)14-10-28-11-17(14)21-15-8-4-5-9-16(15)22-18(23)12-6-2-3-7-13(12)19(24)25/h2-9,21H,10-11H2,1H3,(H,22,23)(H,24,25)