6-(1-hydroxyethyl)-3-[(2-methylpyridin-4-yl)methylsulfanyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-3-[(2-methylpyridin-4-yl)methylsulfanyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-3-[(2-methyl-4-pyridyl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-3-[(2-methyl-4-pyridinyl)methylthio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-3-[(2-methylpyridin-4-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[(2-methyl-4-pyridyl)methylthio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H17N2O4S- MolecularWeight: 333.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)CSC2=C(N3C(C2)C(C3=O)C(C)O)C(=O)[O-]

Isomeric SMILES

CC1=NC=CC(=C1)CSC2=C(N3C(C2)C(C3=O)C(C)O)C(=O)[O-]

InChI

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