(E)-2-cyano-3-methylsulfanyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-methylsulfanyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-methylsulfanyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(methylthio)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-methylsulfanyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(methylthio)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)acrylic acid Formula: C15H16N2O2S MolecularWeight: 288.36474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)O)N1CCC2=CC=CC=C2CC1

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2S/c1-20-14(13(10-16)15(18)19)17-8-6-11-4-2-3-5-12(11)7-9-17/h2-5H,6-9H2,1H3,(H,18,19)/b14-13+