(phenylmethyl) 3,3-dimethyl-7-oxidanylidene-6-(prop-2-enoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 3,3-dimethyl-7-oxidanylidene-6-(prop-2-enoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3,3-dimethyl-7-oxo-6-(prop-2-enoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-(1-oxoprop-2-enylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,3-dimethyl-7-oxo-6-(prop-2-enoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-acrylamido-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C=C)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C=C)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C18H20N2O4S/c1-4-12(21)19-13-15(22)20-14(18(2,3)25-16(13)20)17(23)24-10-11-8-6-5-7-9-11/h4-9,13-14,16H,1,10H2,2-3H3,(H,19,21)