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

Systemtic Name: dimethyl 5-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NOC(=C2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NOC(=C2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C17H21N3O5S2/c1-8-11(14(21)23-5)13(27-12(8)15(22)24-6)19-16(26)18-10-7-9(25-20-10)17(2,3)4/h7H,1-6H3,(H2,18,19,20,26)