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

Systemtic Name: ethyl 6-tert-butyl-2-[(3-pentoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(3-pentoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[oxo-(3-pentoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(3-pentoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-amoxybenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H37NO4S MolecularWeight: 471.65198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C27H37NO4S/c1-6-8-9-15-32-20-12-10-11-18(16-20)24(29)28-25-23(26(30)31-7-2)21-14-13-19(27(3,4)5)17-22(21)33-25/h10-12,16,19H,6-9,13-15,17H2,1-5H3,(H,28,29)