methyl 2-[(2-pentoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-pentoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-pentoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(2-pentoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-pentoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-amoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C22H27NO4S/c1-3-4-9-14-27-17-12-7-5-10-15(17)20(24)23-21-19(22(25)26-2)16-11-6-8-13-18(16)28-21/h5,7,10,12H,3-4,6,8-9,11,13-14H2,1-2H3,(H,23,24)