3-methyl-8-oxidanylidene-7-prop-2-enoxy-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-8-oxidanylidene-7-prop-2-enoxy-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-allyloxy-3-methyl-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-7-prop-2-enoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-prop-2-enoxy-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-allyloxy-8-keto-3-methyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CS3)OCC=C)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CS3)OCC=C)SC1)C(=O)O

InChI

InChI=1S/C17H18N2O5S2/c1-3-6-24-17(18-12(20)8-11-5-4-7-25-11)15(23)19-13(14(21)22)10(2)9-26-16(17)19/h3-5,7,16H,1,6,8-9H2,2H3,(H,18,20)(H,21,22)