ethyl 2-(3-methylsulfanylpropylcarbamothioylamino)-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-methylsulfanylpropylcarbamothioylamino)-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-(3-methylsulfanylpropylcarbamothioylamino)-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-methylsulfanylpropylcarbamothioylamino)-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[3-(methylthio)propylthiocarbamoylamino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C16H20N2O2S4 MolecularWeight: 400.6022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=S)NCCCSC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=S)NCCCSC

InChI

InChI=1S/C16H20N2O2S4/c1-3-20-15(19)13-11(12-6-4-9-23-12)10-24-14(13)18-16(21)17-7-5-8-22-2/h4,6,9-10H,3,5,7-8H2,1-2H3,(H2,17,18,21)