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

Systemtic Name: 2-[4-[[3-ethoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(5-benzyl-3-ethoxycarbonyl-2-thienyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[[3-ethoxycarbonyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(5-benzyl-3-ethoxycarbonylthiophen-2-yl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(5-benzyl-3-carbethoxy-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(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C23H22N2O4S2/c1-2-29-22(28)19-14-18(12-15-6-4-3-5-7-15)31-21(19)25-23(30)24-17-10-8-16(9-11-17)13-20(26)27/h3-11,14H,2,12-13H2,1H3,(H,26,27)(H2,24,25,30)