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

Systemtic Name: ethyl 2-(azanylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(aminocarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[hydrazinyl(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(aminocarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(aminothiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C12H17N3O2S2 MolecularWeight: 299.41228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S2/c1-2-17-11(16)9-7-5-3-4-6-8(7)19-10(9)14-12(18)15-13/h2-6,13H2,1H3,(H2,14,15,18)