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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C

InChI

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