7-[(2-azanyl-2-thiophen-3-yl-ethanoyl)amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-azanyl-2-thiophen-3-yl-ethanoyl)amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-amino-2-(3-thienyl)acetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-amino-1-oxo-2-(3-thiophenyl)ethyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-2-thiophen-3-ylacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-amino-2-(3-thienyl)acetyl]amino]-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H15N3O5S2 MolecularWeight: 369.416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5S2/c1-22-7-5-24-13-9(12(19)17(13)10(7)14(20)21)16-11(18)8(15)6-2-3-23-4-6/h2-4,8-9,13H,5,15H2,1H3,(H,16,18)(H,20,21)