ethyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-pyridyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloropyridin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-pyridyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H18ClN3O2S2 MolecularWeight: 395.92672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN3O2S2/c1-2-23-16(22)14-11-5-3-4-6-12(11)25-15(14)21-17(24)20-13-8-7-10(18)9-19-13/h7-9H,2-6H2,1H3,(H2,19,20,21,24)