S-[octyl(prop-2-enoyl)amino] 2-ethoxy-3-oxidanylidene-3-phenyl-propanethioate

Systemtic Name: S-[octyl(prop-2-enoyl)amino] 2-ethoxy-3-oxidanylidene-3-phenyl-propanethioate Openeye Name: S-[octyl(prop-2-enoyl)amino] 2-ethoxy-3-oxo-3-phenyl-propanethioate CAS Name: 2-ethoxy-3-oxo-3-phenylpropanethioic acid S-[octyl(1-oxoprop-2-enyl)amino] ester IUPAC Name: S-[octyl(prop-2-enoyl)amino] 2-ethoxy-3-oxo-3-phenylpropanethioate Traditional Name: 2-ethoxy-3-keto-3-phenyl-propanethioic acid S-[acryloyl(octyl)amino] ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(=O)C=C)SC(=O)C(C(=O)C1=CC=CC=C1)OCC

Isomeric SMILES

CCCCCCCCN(C(=O)C=C)SC(=O)C(C(=O)C1=CC=CC=C1)OCC

InChI

InChI=1S/C22H31NO4S/c1-4-7-8-9-10-14-17-23(19(24)5-2)28-22(26)21(27-6-3)20(25)18-15-12-11-13-16-18/h5,11-13,15-16,21H,2,4,6-10,14,17H2,1,3H3