tert-butyl (2Z)-2-cyano-2-[3-(phenylmethyl)-1,3-thiazinan-2-ylidene]ethanoate

Systemtic Name: tert-butyl (2Z)-2-cyano-2-[3-(phenylmethyl)-1,3-thiazinan-2-ylidene]ethanoate Openeye Name: tert-butyl (2Z)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-cyano-acetate CAS Name: (2Z)-2-cyano-2-[3-(phenylmethyl)-1,3-thiazinan-2-ylidene]acetic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-cyanoacetate Traditional Name: (2Z)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-cyano-acetic acid tert-butyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=C1N(CCCS1)CC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C\1/N(CCCS1)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C18H22N2O2S/c1-18(2,3)22-17(21)15(12-19)16-20(10-7-11-23-16)13-14-8-5-4-6-9-14/h4-6,8-9H,7,10-11,13H2,1-3H3/b16-15-