(diphenylmethyl) (6S)-7-azanyl-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Systemtic Name: (diphenylmethyl) (6S)-7-azanyl-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Openeye Name: benzhydryl (6S)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride CAS Name: (6S)-7-amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester hydrochloride IUPAC Name: benzhydryl (6S)-7-amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Traditional Name: (6S)-7-amino-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester hydrochloride Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C=CC1=C(N2[C@H](C(C2=O)N)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C22H20N2O3S.ClH/c1-2-14-13-28-21-17(23)20(25)24(21)18(14)22(26)27-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h2-12,17,19,21H,1,13,23H2;1H/t17?,21-;/m0./s1