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

Systemtic Name: 2-[4-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-2-thienyl]carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[[5-[dimethylamino(oxo)methyl]-3-methoxycarbonyl-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methylthiophen-2-yl]carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[[3-carbomethoxy-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]thiocarbamoylamino]phenyl]acetic acid Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CC(=O)O)C(=O)N(C)C

InChI

InChI=1S/C19H21N3O5S2/c1-10-14(18(26)27-4)16(29-15(10)17(25)22(2)3)21-19(28)20-12-7-5-11(6-8-12)9-13(23)24/h5-8H,9H2,1-4H3,(H,23,24)(H2,20,21,28)