diethyl 3-methyl-5-(3-phenylpropanoylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(3-phenylpropanoylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(3-phenylpropanoylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(3-phenylpropanoylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(hydrocinnamoylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S2/c1-4-27-19(25)16-13(3)17(20(26)28-5-2)30-18(16)23-21(29)22-15(24)12-11-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H2,22,23,24,29)