S-azanyl (E)-2-cyano-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enethioate

Systemtic Name: S-azanyl (E)-2-cyano-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enethioate Openeye Name: S-amino (E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enethioate CAS Name: (E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propenethioic acid S-amino ester IUPAC Name: S-amino (E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enethioate Traditional Name: (E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enethioic acid S-amino ester Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2S/c1-17(2,3)13-8-11(7-12(10-19)16(22)23-20)9-14(15(13)21)18(4,5)6/h7-9,21H,20H2,1-6H3/b12-7+