diethyl 3-methyl-5-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(isoxazol-3-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(isoxazol-3-ylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C15H17N3O5S2 MolecularWeight: 383.44258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NOC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NOC=C2

InChI

InChI=1S/C15H17N3O5S2/c1-4-21-13(19)10-8(3)11(14(20)22-5-2)25-12(10)17-15(24)16-9-6-7-23-18-9/h6-7H,4-5H2,1-3H3,(H2,16,17,18,24)