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

Systemtic Name: 2-[4-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(3-carbethoxy-5-phenyl-2-thienyl)thiocarbamoylamino]phenyl]acetic acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C22H20N2O4S2/c1-2-28-21(27)17-13-18(15-6-4-3-5-7-15)30-20(17)24-22(29)23-16-10-8-14(9-11-16)12-19(25)26/h3-11,13H,2,12H2,1H3,(H,25,26)(H2,23,24,29)