3-azanyl-4-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-azanyl-4-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-amino-4-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-amino-4-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-amino-4-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-amino-8-keto-4-methoxy-7-[[2-(2-thienyl)acetyl]amino]-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:

COC1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)N

Isomeric SMILES

COC1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)N

InChI

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