phenacyl 6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrochloride

Systemtic Name: phenacyl 6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrochloride Openeye Name: phenacyl 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrochloride CAS Name: 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid phenacyl ester hydrochloride IUPAC Name: phenacyl 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrochloride Traditional Name: 6-amino-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid phenacyl ester hydrochloride Formula: C16H19ClN2O4S MolecularWeight: 370.85106

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)N)C(=O)OCC(=O)C3=CC=CC=C3)C.Cl

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)N)C(=O)OCC(=O)C3=CC=CC=C3)C.Cl

InChI

InChI=1S/C16H18N2O4S.ClH/c1-16(2)12(18-13(20)11(17)14(18)23-16)15(21)22-8-10(19)9-6-4-3-5-7-9;/h3-7,11-12,14H,8,17H2,1-2H3;1H