methyl 5-(diethylcarbamoyl)-2-(furan-2-ylmethylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-(furan-2-ylmethylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(2-furylmethylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(furan-2-ylmethylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(2-furfurylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC=CO2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC=CO2)C(=O)OC)C

InChI

InChI=1S/C18H23N3O4S2/c1-5-21(6-2)16(22)14-11(3)13(17(23)24-4)15(27-14)20-18(26)19-10-12-8-7-9-25-12/h7-9H,5-6,10H2,1-4H3,(H2,19,20,26)