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

Systemtic Name: 2-[4-[(3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-methoxycarbonyl-5-methyl-2-thienyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[(3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3-methoxycarbonyl-5-methylthiophen-2-yl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(3-carbomethoxy-5-methyl-2-thienyl)thiocarbamoylamino]phenyl]acetic acid Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C(=O)OC

InChI

InChI=1S/C16H16N2O4S2/c1-9-7-12(15(21)22-2)14(24-9)18-16(23)17-11-5-3-10(4-6-11)8-13(19)20/h3-7H,8H2,1-2H3,(H,19,20)(H2,17,18,23)