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

Systemtic Name: 4-[[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-5-methyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-5-methyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[3-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-5-methyl-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-5-methylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-methyl-3-(veratrylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid Formula: C23H22N2O6S MolecularWeight: 454.49558

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6S/c1-13-10-17(21(27)24-12-14-4-9-18(30-2)19(11-14)31-3)22(32-13)25-20(26)15-5-7-16(8-6-15)23(28)29/h4-11H,12H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)