ethyl (Z)-2-cyano-3-methylsulfonyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-methylsulfonyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-methylsulfonyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoate CAS Name: (Z)-2-cyano-3-methylsulfonyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-methylsulfonyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoate Traditional Name: (Z)-2-cyano-3-mesyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)acrylic acid ethyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N1CCC2=CC=CC=C2CC1)S(=O)(=O)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/N1CCC2=CC=CC=C2CC1)\S(=O)(=O)C)/C#N

InChI

InChI=1S/C17H20N2O4S/c1-3-23-17(20)15(12-18)16(24(2,21)22)19-10-8-13-6-4-5-7-14(13)9-11-19/h4-7H,3,8-11H2,1-2H3/b16-15-