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

Systemtic Name: ethyl 3-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(allylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-(allylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C15H20N2O2S2 MolecularWeight: 324.4615

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=S)NCC=C

InChI

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