ethyl 1-[3,4,5-triacetyloxy-6-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3,4,5-triacetyloxy-6-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3,4,5-triacetoxy-6-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]tetrahydropyran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3,4,5-triacetyloxy-6-[[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)-oxomethyl]amino]-2-oxanyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4,5-triacetyloxy-6-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]oxane-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3,4,5-triacetoxy-6-[(3-mesyl-6,7-dihydroisobenzothiophene-1-carbonyl)amino]tetrahydropyran-2-carbonyl]isonipecotic acid ethyl ester Formula: C30H38N2O13S2 MolecularWeight: 698.75832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2C(C(C(C(O2)NC(=O)C3=C4CCC=CC4=C(S3)S(=O)(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2C(C(C(C(O2)NC(=O)C3=C4CCC=CC4=C(S3)S(=O)(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C30H38N2O13S2/c1-6-41-29(38)18-11-13-32(14-12-18)28(37)24-22(43-16(3)34)21(42-15(2)33)23(44-17(4)35)27(45-24)31-26(36)25-19-9-7-8-10-20(19)30(46-25)47(5,39)40/h8,10,18,21-24,27H,6-7,9,11-14H2,1-5H3,(H,31,36)