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

Systemtic Name: 2-[4-[(5-ethyl-3-methoxycarbonyl-thiophen-2-yl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(5-ethyl-3-methoxycarbonyl-2-thienyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[(5-ethyl-3-methoxycarbonyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(3-carbomethoxy-5-ethyl-2-thienyl)thiocarbamoylamino]phenyl]acetic acid Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C(=O)OC

InChI

InChI=1S/C17H18N2O4S2/c1-3-12-9-13(16(22)23-2)15(25-12)19-17(24)18-11-6-4-10(5-7-11)8-14(20)21/h4-7,9H,3,8H2,1-2H3,(H,20,21)(H2,18,19,24)