2-[4-[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methyl-2-thienyl]carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[[5-[diethylamino(oxo)methyl]-3-methoxycarbonyl-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[5-(diethylcarbamoyl)-3-methoxycarbonyl-4-methylthiophen-2-yl]carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[[3-carbomethoxy-5-(diethylcarbamoyl)-4-methyl-2-thienyl]thiocarbamoylamino]phenyl]acetic acid Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C(=O)OC)C

InChI

InChI=1S/C21H25N3O5S2/c1-5-24(6-2)19(27)17-12(3)16(20(28)29-4)18(31-17)23-21(30)22-14-9-7-13(8-10-14)11-15(25)26/h7-10H,5-6,11H2,1-4H3,(H,25,26)(H2,22,23,30)