(diphenylmethyl) 7-azanyl-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate hydrochloride

Systemtic Name: (diphenylmethyl) 7-azanyl-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate hydrochloride Openeye Name: benzhydryl 7-amino-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate hydrochloride CAS Name: 7-amino-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (diphenylmethyl) ester hydrochloride IUPAC Name: benzhydryl 7-amino-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate hydrochloride Traditional Name: 7-amino-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzhydryl ester hydrochloride Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)N.Cl

Isomeric SMILES

C=C1CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)N.Cl

InChI

InChI=1S/C21H20N2O3S.ClH/c1-13-12-27-20-16(22)19(24)23(20)17(13)21(25)26-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11,16-18,20H,1,12,22H2;1H