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

Systemtic Name: 2-[4-[(3-methoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-methoxycarbonyl-5-phenyl-2-thienyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[(3-methoxycarbonyl-5-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3-methoxycarbonyl-5-phenylthiophen-2-yl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(3-carbomethoxy-5-phenyl-2-thienyl)thiocarbamoylamino]phenyl]acetic acid Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S2/c1-27-20(26)16-12-17(14-5-3-2-4-6-14)29-19(16)23-21(28)22-15-9-7-13(8-10-15)11-18(24)25/h2-10,12H,11H2,1H3,(H,24,25)(H2,22,23,28)