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

Systemtic Name: (diphenylmethyl) 7-azanyl-3-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Openeye Name: benzhydryl 7-amino-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride CAS Name: 7-amino-3-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester hydrochloride IUPAC Name: benzhydryl 7-amino-3-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Traditional Name: 7-amino-8-keto-3-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester hydrochloride Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

CSC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C21H20N2O3S2.ClH/c1-27-15-12-28-20-16(22)19(24)23(20)17(15)21(25)26-18(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,16,18,20H,12,22H2,1H3;1H