ethyl 3-[(4Z,5R)-8-methoxy-4-methoxyimino-1-(4-methylphenyl)sulfonyl-5-oxidanyl-2,3-dihydro-1-benzazepin-5-yl]prop-2-ynoate

Systemtic Name: ethyl 3-[(4Z,5R)-8-methoxy-4-methoxyimino-1-(4-methylphenyl)sulfonyl-5-oxidanyl-2,3-dihydro-1-benzazepin-5-yl]prop-2-ynoate Openeye Name: ethyl 3-[(4Z,5R)-5-hydroxy-8-methoxy-4-methoxyimino-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepin-5-yl]prop-2-ynoate CAS Name: 3-[(4Z,5R)-5-hydroxy-8-methoxy-4-methoxyimino-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-yl]-2-propynoic acid ethyl ester IUPAC Name: ethyl 3-[(4Z,5R)-5-hydroxy-8-methoxy-4-methoxyimino-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-yl]prop-2-ynoate Traditional Name: 3-[(4Z,5R)-5-hydroxy-8-methoxy-4-methyloximino-1-tosyl-2,3-dihydro-1-benzazepin-5-yl]propiolic acid ethyl ester Formula: C24H26N2O7S MolecularWeight: 486.53744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC1(C(=NOC)CCN(C2=C1C=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCOC(=O)C#C[C@@]1(/C(=N\OC)/CCN(C2=C1C=CC(=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C24H26N2O7S/c1-5-33-23(27)12-14-24(28)20-11-8-18(31-3)16-21(20)26(15-13-22(24)25-32-4)34(29,30)19-9-6-17(2)7-10-19/h6-11,16,28H,5,13,15H2,1-4H3/b25-22-/t24-/m1/s1