methyl 5-(dimethylcarbamoyl)-2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(3-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(3-carbethoxyphenyl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C20H23N3O5S2/c1-6-28-18(25)12-8-7-9-13(10-12)21-20(29)22-16-14(19(26)27-5)11(2)15(30-16)17(24)23(3)4/h7-10H,6H2,1-5H3,(H2,21,22,29)