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

Systemtic Name: 2-[4-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)thiocarbamoylamino]phenyl]acetic acid Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C23H22N2O4S2/c1-3-29-22(28)20-19(16-7-5-4-6-8-16)14(2)31-21(20)25-23(30)24-17-11-9-15(10-12-17)13-18(26)27/h4-12H,3,13H2,1-2H3,(H,26,27)(H2,24,25,30)