S-azanyl (E)-2-cyano-3-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]prop-2-enethioate

Systemtic Name: S-azanyl (E)-2-cyano-3-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]prop-2-enethioate Openeye Name: S-amino (E)-2-cyano-3-(4-hydroxy-3,5-diisopropyl-phenyl)prop-2-enethioate CAS Name: (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2-propenethioic acid S-amino ester IUPAC Name: S-amino (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enethioate Traditional Name: (E)-2-cyano-3-(4-hydroxy-3,5-diisopropyl-phenyl)prop-2-enethioic acid S-amino ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C(=O)SN

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\C#N)/C(=O)SN

InChI

InChI=1S/C16H20N2O2S/c1-9(2)13-6-11(5-12(8-17)16(20)21-18)7-14(10(3)4)15(13)19/h5-7,9-10,19H,18H2,1-4H3/b12-5+