dimethyl 5-[(2-tert-butylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[(2-tert-butylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(2-tert-butylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-tert-butylanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-tert-butylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-tert-butylphenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2C(C)(C)C)C(=O)OC

InChI

InChI=1S/C20H24N2O4S2/c1-11-14(17(23)25-5)16(28-15(11)18(24)26-6)22-19(27)21-13-10-8-7-9-12(13)20(2,3)4/h7-10H,1-6H3,(H2,21,22,27)