4-phenylbutyl 7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 4-phenylbutyl 7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 4-phenylbutyl 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-phenylbutyl ester Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CS2)C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

C1C2N(C1=O)C(=CS2)C(=O)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C16H17NO3S/c18-14-10-15-17(14)13(11-21-15)16(19)20-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,15H,4-5,8-10H2