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

Systemtic Name: 4-[[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-5-ethyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-5-ethyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[3-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-5-ethyl-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-ethyl-3-(veratrylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=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/C24H24N2O6S/c1-4-17-12-18(22(28)25-13-14-5-10-19(31-2)20(11-14)32-3)23(33-17)26-21(27)15-6-8-16(9-7-15)24(29)30/h5-12H,4,13H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)