6-[[(2E)-2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxyimino]ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[[(2E)-2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxyimino]ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[(2E)-2-(benzothiophen-3-yl)-2-tert-butoxyimino-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[(2E)-2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxyimino]-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[(2E)-2-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[(2E)-2-(benzothiophen-3-yl)-2-tert-butyloximino-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(=NOC(C)(C)C)C3=CSC4=CC=CC=C43)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)/C(=N/OC(C)(C)C)/C3=CSC4=CC=CC=C43)C(=O)O)C

InChI

InChI=1S/C22H25N3O5S2/c1-21(2,3)30-24-14(12-10-31-13-9-7-6-8-11(12)13)17(26)23-15-18(27)25-16(20(28)29)22(4,5)32-19(15)25/h6-10,15-16,19H,1-5H3,(H,23,26)(H,28,29)/b24-14+