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

Systemtic Name: ethyl 2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H20N2O2S2 MolecularWeight: 324.4615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O2S2/c1-3-9-16-15(20)17-13-12(14(18)19-4-2)10-7-5-6-8-11(10)21-13/h3H,1,4-9H2,2H3,(H2,16,17,20)