prop-2-enyl 3-(3-carbamothioylphenyl)-7-oxidanylidene-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl 3-(3-carbamothioylphenyl)-7-oxidanylidene-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: allyl 3-(3-carbamothioylphenyl)-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(3-carbamothioylphenyl)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-(3-carbamothioylphenyl)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-isopropyl-7-keto-3-(3-thiocarbamoylphenyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2CC(=C(N2C1=O)C(=O)OCC=C)C3=CC(=CC=C3)C(=S)N

Isomeric SMILES

CC(C)C1C2CC(=C(N2C1=O)C(=O)OCC=C)C3=CC(=CC=C3)C(=S)N

InChI

InChI=1S/C20H22N2O3S/c1-4-8-25-20(24)17-14(12-6-5-7-13(9-12)18(21)26)10-15-16(11(2)3)19(23)22(15)17/h4-7,9,11,15-16H,1,8,10H2,2-3H3,(H2,21,26)