2-(7-oxidanylidene-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-(phenylsulfanylmethyl)but-3-enoate

Systemtic Name: 2-(7-oxidanylidene-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-(phenylsulfanylmethyl)but-3-enoate Openeye Name: 2-(7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-(phenylsulfanylmethyl)but-3-enoate CAS Name: 2-(7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-[(phenylthio)methyl]-3-butenoate IUPAC Name: 2-(7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-(phenylsulfanylmethyl)but-3-enoate Traditional Name: 2-(7-keto-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-[(phenylthio)methyl]but-3-enoate Formula: C21H17N2O4S- MolecularWeight: 393.43568

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CSC1=CC=CC=C1)C(C(=O)[O-])N2C3C(C2=O)N=C(O3)C4=CC=CC=C4

Isomeric SMILES

C=C(CSC1=CC=CC=C1)C(C(=O)[O-])N2C3C(C2=O)N=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4S/c1-13(12-28-15-10-6-3-7-11-15)17(21(25)26)23-19(24)16-20(23)27-18(22-16)14-8-4-2-5-9-14/h2-11,16-17,20H,1,12H2,(H,25,26)/p-1