ethyl (6R)-6-ethyl-2-(9H-xanthen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-6-ethyl-2-(9H-xanthen-9-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-ethyl-2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-ethyl-2-[[oxo(9H-xanthen-9-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-ethyl-2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-ethyl-2-(9H-xanthene-9-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C27H27NO4S/c1-3-16-13-14-19-22(15-16)33-26(24(19)27(30)31-4-2)28-25(29)23-17-9-5-7-11-20(17)32-21-12-8-6-10-18(21)23/h5-12,16,23H,3-4,13-15H2,1-2H3,(H,28,29)/t16-/m1/s1