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

Systemtic Name: ethyl 2-[2-(5-chloranylpyridin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-chloro-2-pyridyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(5-chloro-2-pyridinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-chloropyridin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(5-chloro-2-pyridyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H19ClN2O3S2 MolecularWeight: 410.93806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN2O3S2/c1-2-24-18(23)16-12-5-3-4-6-13(12)26-17(16)21-14(22)10-25-15-8-7-11(19)9-20-15/h7-9H,2-6,10H2,1H3,(H,21,22)