diethyl 5-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-6-28-19(26)16-12(3)17(20(27)29-7-2)31-18(16)23-21(30)22-14-8-10-15(11-9-14)24(5)13(4)25/h8-11H,6-7H2,1-5H3,(H2,22,23,30)