S-octadecyl (Z)-2-azanyl-3-phenoxy-prop-2-enethioate

Systemtic Name: S-octadecyl (Z)-2-azanyl-3-phenoxy-prop-2-enethioate Openeye Name: S-octadecyl (Z)-2-amino-3-phenoxy-prop-2-enethioate CAS Name: (Z)-2-amino-3-phenoxy-2-propenethioic acid S-octadecyl ester IUPAC Name: S-octadecyl (Z)-2-amino-3-phenoxyprop-2-enethioate Traditional Name: (Z)-2-amino-3-phenoxy-prop-2-enethioic acid S-stearyl ester Formula: C27H45NO2S MolecularWeight: 447.7167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(=O)C(=COC1=CC=CC=C1)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(=O)/C(=C/OC1=CC=CC=C1)/N

InChI

InChI=1S/C27H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31-27(29)26(28)24-30-25-21-18-17-19-22-25/h17-19,21-22,24H,2-16,20,23,28H2,1H3/b26-24-