(4R,5S,6S)-3-[(4-aminocarbonylphenyl)methylsulfanyl]-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6S)-3-[(4-aminocarbonylphenyl)methylsulfanyl]-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-3-[(4-carbamoylphenyl)methylsulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-3-[(4-carbamoylphenyl)methylthio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-3-[(4-carbamoylphenyl)methylsulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-3-[(4-carbamoylbenzyl)thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCC3=CC=C(C=C3)C(=O)N)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SCC3=CC=C(C=C3)C(=O)N)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C18H20N2O5S/c1-8-13-12(9(2)21)17(23)20(13)14(18(24)25)15(8)26-7-10-3-5-11(6-4-10)16(19)22/h3-6,8-9,12-13,21H,7H2,1-2H3,(H2,19,22)(H,24,25)/t8-,9-,12-,13-/m1/s1