3-[2-(azanylmethylideneamino)ethylsulfinyl]-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[2-(azanylmethylideneamino)ethylsulfinyl]-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[2-(aminomethyleneamino)ethylsulfinyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[2-(aminomethylideneamino)ethylsulfinyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[2-(aminomethylideneamino)ethylsulfinyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[2-(aminomethyleneamino)ethylsulfinyl]-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)S(=O)CCN=CN)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)S(=O)CCN=CN)O

InChI

InChI=1S/C12H17N3O5S/c1-6(16)9-7-4-8(21(20)3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)