3-methyl-7-oxidanylidene-6-propan-2-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-7-oxidanylidene-6-propan-2-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-isopropyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-methyl-7-oxo-6-propan-2-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-7-oxo-6-propan-2-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-isopropyl-7-keto-3-methyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(S1)C(C2=O)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(N2C(S1)C(C2=O)C(C)C)C(=O)O

InChI

InChI=1S/C10H13NO3S/c1-4(2)6-8(12)11-7(10(13)14)5(3)15-9(6)11/h4,6,9H,1-3H3,(H,13,14)