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

Systemtic Name: 2-methylpropyl (2Z)-2-cyano-2-[3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]ethanoate Openeye Name: isobutyl (2Z)-2-(3-benzylthiazolidin-2-ylidene)-2-cyano-acetate CAS Name: (2Z)-2-cyano-2-[3-(phenylmethyl)-2-thiazolidinylidene]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2Z)-2-(3-benzyl-1,3-thiazolidin-2-ylidene)-2-cyanoacetate Traditional Name: (2Z)-2-(3-benzylthiazolidin-2-ylidene)-2-cyano-acetic acid isobutyl ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(=C1N(CCS1)CC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)COC(=O)/C(=C\1/N(CCS1)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C17H20N2O2S/c1-13(2)12-21-17(20)15(10-18)16-19(8-9-22-16)11-14-6-4-3-5-7-14/h3-7,13H,8-9,11-12H2,1-2H3/b16-15-