7-[(1-azanylcyclohexyl)carbonylamino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(1-azanylcyclohexyl)carbonylamino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(1-aminocyclohexanecarbonyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(1-aminocyclohexyl)-oxomethyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(1-aminocyclohexanecarbonyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(1-aminocyclohexanecarbonyl)amino]-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)NC(=O)C3(CCCCC3)N)SC1)C(=O)O

Isomeric SMILES

COC1=C(N2C(C(C2=O)NC(=O)C3(CCCCC3)N)SC1)C(=O)O

InChI

InChI=1S/C15H21N3O5S/c1-23-8-7-24-12-9(11(19)18(12)10(8)13(20)21)17-14(22)15(16)5-3-2-4-6-15/h9,12H,2-7,16H2,1H3,(H,17,22)(H,20,21)