2-[[5-chloranyl-2-(2-methoxycarbonylthiophen-3-yl)oxy-phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-chloranyl-2-(2-methoxycarbonylthiophen-3-yl)oxy-phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[5-chloro-2-[(2-methoxycarbonyl-3-thienyl)oxy]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[5-chloro-2-[(2-methoxycarbonyl-3-thiophenyl)oxy]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-chloro-2-(2-methoxycarbonylthiophen-3-yl)oxyphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[(2-carbomethoxy-3-thienyl)oxy]-5-chloro-phenyl]carbamoyl]benzoic acid Formula: C20H14ClNO6S MolecularWeight: 431.84626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CS1)OC2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H14ClNO6S/c1-27-20(26)17-16(8-9-29-17)28-15-7-6-11(21)10-14(15)22-18(23)12-4-2-3-5-13(12)19(24)25/h2-10H,1H3,(H,22,23)(H,24,25)