dimethyl 3-methyl-5-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-isopropoxycarbonylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[oxo(propan-2-yloxy)methyl]anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[(4-isopropoxycarbonylphenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S2/c1-10(2)28-17(23)12-6-8-13(9-7-12)21-20(29)22-16-14(18(24)26-4)11(3)15(30-16)19(25)27-5/h6-10H,1-5H3,(H2,21,22,29)