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

Systemtic Name: 2-[4-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thienyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(4-ethyl-3-methoxycarbonyl-5-methylthiophen-2-yl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(3-carbomethoxy-4-ethyl-5-methyl-2-thienyl)thiocarbamoylamino]phenyl]acetic acid Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C

InChI

InChI=1S/C18H20N2O4S2/c1-4-13-10(2)26-16(15(13)17(23)24-3)20-18(25)19-12-7-5-11(6-8-12)9-14(21)22/h5-8H,4,9H2,1-3H3,(H,21,22)(H2,19,20,25)