7-[(2-azanyl-2-thiophen-3-yl-ethanoyl)amino]-7-methoxy-3-methyl-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]-7-methoxy-3-methyl-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]-7-methoxy-3-methyl-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]-7-methoxy-3-methyl-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]-7-methoxy-3-methyl-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-7-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H17N3O5S2 MolecularWeight: 383.44258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(NC(=O)C(C3=CSC=C3)N)OC)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)(NC(=O)C(C3=CSC=C3)N)OC)SC1)C(=O)O

InChI

InChI=1S/C15H17N3O5S2/c1-7-5-25-14-15(23-2,13(22)18(14)10(7)12(20)21)17-11(19)9(16)8-3-4-24-6-8/h3-4,6,9,14H,5,16H2,1-2H3,(H,17,19)(H,20,21)