4-[[5-chloranyl-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[5-chloranyl-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[5-chloro-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[5-chloro-3-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[5-chloro-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-chloro-3-(veratrylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H19ClN2O6S/c1-30-16-8-3-12(9-17(16)31-2)11-24-20(27)15-10-18(23)32-21(15)25-19(26)13-4-6-14(7-5-13)22(28)29/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)