diethyl 5-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H21ClN2O5S2 MolecularWeight: 480.98484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H21ClN2O5S2/c1-4-28-19(26)16-12(3)17(20(27)29-5-2)31-18(16)24-21(30)23-15(25)11-8-13-6-9-14(22)10-7-13/h6-11H,4-5H2,1-3H3,(H2,23,24,25,30)