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

Systemtic Name: 2-methylpropyl (2Z)-2-cyano-2-[3-(phenylmethyl)-1,3-thiazinan-2-ylidene]ethanoate Openeye Name: isobutyl (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 2-methylpropyl ester IUPAC Name: 2-methylpropyl (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 isobutyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S/c1-14(2)13-22-18(21)16(11-19)17-20(9-6-10-23-17)12-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-10,12-13H2,1-2H3/b17-16-