4-[[3-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]-5-methyl-thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[3-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]-5-methyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[3-[(3-chloro-4-methoxy-phenyl)methylcarbamoyl]-5-methyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[3-[[(3-chloro-4-methoxyphenyl)methylamino]-oxomethyl]-5-methyl-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-methylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[3-[(3-chloro-4-methoxy-benzyl)carbamoyl]-5-methyl-2-thienyl]carbamoyl]benzoic acid Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H19ClN2O5S/c1-12-9-16(20(27)24-11-13-3-8-18(30-2)17(23)10-13)21(31-12)25-19(26)14-4-6-15(7-5-14)22(28)29/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)