ethyl 2-(1-benzofuran-2-ylcarbonylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-benzofuran-2-ylcarbonylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(benzofuran-2-carbonylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate CAS Name: 2-[[2-benzofuranyl(oxo)methyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-benzofuran-2-carbonylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate Traditional Name: 2-(benzofuran-2-carbonylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylic acid ethyl ester Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C26H31NO4S/c1-2-30-26(29)23-19-14-9-7-5-3-4-6-8-10-16-22(19)32-25(23)27-24(28)21-17-18-13-11-12-15-20(18)31-21/h11-13,15,17H,2-10,14,16H2,1H3,(H,27,28)