4-methyl-8-oxidanylidene-7-[2-(thiophen-2-ylamino)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-methyl-8-oxidanylidene-7-[2-(thiophen-2-ylamino)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-methyl-8-oxo-7-[[2-(2-thienylamino)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-methyl-8-oxo-7-[[1-oxo-2-(thiophen-2-ylamino)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-methyl-8-oxo-7-[[2-(thiophen-2-ylamino)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-4-methyl-7-[[2-(2-thienylamino)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H15N3O4S2 MolecularWeight: 353.4166

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C(S1)C(C2=O)NC(=O)CNC3=CC=CS3)C(=O)O

Isomeric SMILES

CC1C=C(N2C(S1)C(C2=O)NC(=O)CNC3=CC=CS3)C(=O)O

InChI

InChI=1S/C14H15N3O4S2/c1-7-5-8(14(20)21)17-12(19)11(13(17)23-7)16-9(18)6-15-10-3-2-4-22-10/h2-5,7,11,13,15H,6H2,1H3,(H,16,18)(H,20,21)