(phenylmethyl) (3E)-7-oxidanylidene-3-(4-sulfanylidenebutan-2-ylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) (3E)-7-oxidanylidene-3-(4-sulfanylidenebutan-2-ylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl (3E)-3-(1-methyl-3-thioxo-propylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (3E)-7-oxo-3-(4-sulfanylidenebutan-2-ylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3E)-7-oxo-3-(4-sulfanylidenebutan-2-ylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (3E)-7-keto-3-(1-methyl-3-thioxo-propylidene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(N2C(O1)CC2=O)C(=O)OCC3=CC=CC=C3)CC=S

Isomeric SMILES

C/C(=C\1/C(N2C(O1)CC2=O)C(=O)OCC3=CC=CC=C3)/CC=S

InChI

InChI=1S/C17H17NO4S/c1-11(7-8-23)16-15(18-13(19)9-14(18)22-16)17(20)21-10-12-5-3-2-4-6-12/h2-6,8,14-15H,7,9-10H2,1H3/b16-11+