methyl 2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(allylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C14H18N2O2S2 MolecularWeight: 310.43492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC=C

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC=C

InChI

InChI=1S/C14H18N2O2S2/c1-3-8-15-14(19)16-12-11(13(17)18-2)9-6-4-5-7-10(9)20-12/h3H,1,4-8H2,2H3,(H2,15,16,19)