diethyl 5-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(5-tert-butylisoxazol-3-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(5-tert-butyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-tert-butylisoxazol-3-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S2/c1-7-25-16(23)13-10(3)14(17(24)26-8-2)29-15(13)21-18(28)20-12-9-11(27-22-12)19(4,5)6/h9H,7-8H2,1-6H3,(H2,20,21,22,28)