diethyl 3-methyl-5-[(2-methyl-6-propan-2-yl-phenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(2-methyl-6-propan-2-yl-phenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-isopropyl-6-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(2-methyl-6-propan-2-ylanilino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-methyl-6-propan-2-ylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[(2-isopropyl-6-methyl-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(C=CC=C2C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(C=CC=C2C(C)C)C

InChI

InChI=1S/C22H28N2O4S2/c1-7-27-20(25)16-14(6)18(21(26)28-8-2)30-19(16)24-22(29)23-17-13(5)10-9-11-15(17)12(3)4/h9-12H,7-8H2,1-6H3,(H2,23,24,29)