methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methylisoxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[(5-methyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(5-methylisoxazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H22N4O4S2 MolecularWeight: 410.51098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NOC(=C2)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NOC(=C2)C)C(=O)OC)C

InChI

InChI=1S/C17H22N4O4S2/c1-6-21(7-2)15(22)13-10(4)12(16(23)24-5)14(27-13)19-17(26)18-11-8-9(3)25-20-11/h8H,6-7H2,1-5H3,(H2,18,19,20,26)