ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-4-thiophen-3-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-4-thiophen-3-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-(2-methylallylcarbamothioylamino)-4-(3-thienyl)thiophene-3-carboxylate CAS Name: 2-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]-4-(3-thiophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-4-thiophen-3-ylthiophene-3-carboxylate Traditional Name: 2-(2-methylallylthiocarbamoylamino)-4-(3-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C16H18N2O2S3 MolecularWeight: 366.52132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CSC=C2)NC(=S)NCC(=C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CSC=C2)NC(=S)NCC(=C)C

InChI

InChI=1S/C16H18N2O2S3/c1-4-20-15(19)13-12(11-5-6-22-8-11)9-23-14(13)18-16(21)17-7-10(2)3/h5-6,8-9H,2,4,7H2,1,3H3,(H2,17,18,21)