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

Systemtic Name: ethyl 2-[(4-ethoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-ethoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-ethoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(p-phenetylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C19H23NO5S2/c1-3-24-13-9-11-14(12-10-13)27(22,23)20-18-17(19(21)25-4-2)15-7-5-6-8-16(15)26-18/h9-12,20H,3-8H2,1-2H3