methyl (1R,5S)-5-ethylsulfanyl-7-(4-methoxyphenyl)-6-oxidanylidene-3-phenyl-4-thia-7-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: methyl (1R,5S)-5-ethylsulfanyl-7-(4-methoxyphenyl)-6-oxidanylidene-3-phenyl-4-thia-7-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: methyl (1R,5S)-5-ethylsulfanyl-7-(4-methoxyphenyl)-6-oxo-3-phenyl-4-thia-7-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (1R,5S)-5-(ethylthio)-7-(4-methoxyphenyl)-6-oxo-3-phenyl-4-thia-7-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-5-ethylsulfanyl-7-(4-methoxyphenyl)-6-oxo-3-phenyl-4-thia-7-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (1R,5S)-5-(ethylthio)-6-keto-7-(4-methoxyphenyl)-3-phenyl-4-thia-7-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid methyl ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CCSC12C(C(=C(S1)C3=CC=CC=C3)C(=O)OC)N(C2=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCS[C@@]12[C@@H](C(=C(S1)C3=CC=CC=C3)C(=O)OC)N(C2=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21NO4S2/c1-4-28-22-19(23(21(22)25)15-10-12-16(26-2)13-11-15)17(20(24)27-3)18(29-22)14-8-6-5-7-9-14/h5-13,19H,4H2,1-3H3/t19-,22+/m1/s1