dimethyl 2-[3-ethoxycarbonyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepin-4-yl]but-2-enedioate

Systemtic Name: dimethyl 2-[3-ethoxycarbonyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepin-4-yl]but-2-enedioate Openeye Name: dimethyl 2-[3-ethoxycarbonyl-5-oxo-1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazepin-4-yl]but-2-enedioate CAS Name: 2-[3-ethoxycarbonyl-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepin-4-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-ethoxycarbonyl-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepin-4-yl]but-2-enedioate Traditional Name: 2-(3-carbethoxy-5-keto-1-tosyl-3,4-dihydro-2H-1-benzazepin-4-yl)but-2-enedioic acid dimethyl ester Formula: C26H27NO9S MolecularWeight: 529.55888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C2=CC=CC=C2C(=O)C1C(=CC(=O)OC)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CN(C2=CC=CC=C2C(=O)C1C(=CC(=O)OC)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H27NO9S/c1-5-36-26(31)20-15-27(37(32,33)17-12-10-16(2)11-13-17)21-9-7-6-8-18(21)24(29)23(20)19(25(30)35-4)14-22(28)34-3/h6-14,20,23H,5,15H2,1-4H3