ethyl (2R)-2-benzamido-3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-benzamido-3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-propanoate Openeye Name: ethyl (2R)-2-benzamido-3-[(E)-3-methoxy-3-oxo-prop-1-enyl]sulfanyl-propanoate CAS Name: (2R)-2-benzamido-3-[[(E)-3-methoxy-3-oxoprop-1-enyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-benzamido-3-[(E)-3-methoxy-3-oxoprop-1-enyl]sulfanylpropanoate Traditional Name: (2R)-2-benzamido-3-[[(E)-3-keto-3-methoxy-prop-1-enyl]thio]propionic acid ethyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC=CC(=O)OC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](CS/C=C/C(=O)OC)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H19NO5S/c1-3-22-16(20)13(11-23-10-9-14(18)21-2)17-15(19)12-7-5-4-6-8-12/h4-10,13H,3,11H2,1-2H3,(H,17,19)/b10-9+/t13-/m0/s1