methyl (6S)-3-methyl-3-oxidanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: methyl (6S)-3-methyl-3-oxidanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: methyl (6S)-3-hydroxy-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S)-3-hydroxy-3-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-hydroxy-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S)-3-hydroxy-8-keto-3-methyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OC)NC(=O)CC3=CC=CC=C3)O

Isomeric SMILES

CC1(CS[C@H]2C(C(=O)N2C1C(=O)OC)NC(=O)CC3=CC=CC=C3)O

InChI

InChI=1S/C17H20N2O5S/c1-17(23)9-25-15-12(14(21)19(15)13(17)16(22)24-2)18-11(20)8-10-6-4-3-5-7-10/h3-7,12-13,15,23H,8-9H2,1-2H3,(H,18,20)/t12?,13?,15-,17?/m0/s1