ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]ethanoate

Systemtic Name: ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]ethanoate Openeye Name: ethyl (2E)-2-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]acetate CAS Name: (2E)-2-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]acetate Traditional Name: (2E)-2-(1-tosyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)acetic acid ethyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CCCN(C2=CC=CC=C12)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)/C=C/1\CCCN(C2=CC=CC=C12)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23NO4S/c1-3-26-21(23)15-17-7-6-14-22(20-9-5-4-8-19(17)20)27(24,25)18-12-10-16(2)11-13-18/h4-5,8-13,15H,3,6-7,14H2,1-2H3/b17-15+