methyl 2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(2-thienyl)prop-2-enoylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(2-thienyl)acryloyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C=CC3=CC=CS3

InChI

InChI=1S/C18H18N2O3S3/c1-23-17(22)15-12-6-2-3-7-13(12)26-16(15)20-18(24)19-14(21)9-8-11-5-4-10-25-11/h4-5,8-10H,2-3,6-7H2,1H3,(H2,19,20,21,24)