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

Systemtic Name: ethyl 2-[(6-chloranylpyridin-3-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(6-chloro-3-pyridyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(6-chloro-3-pyridinyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-chloropyridin-3-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-chloro-3-pyridyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C16H17ClN2O4S2 MolecularWeight: 400.90018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C16H17ClN2O4S2/c1-2-23-16(20)14-11-5-3-4-6-12(11)24-15(14)19-25(21,22)10-7-8-13(17)18-9-10/h7-9,19H,2-6H2,1H3