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

Systemtic Name: 7-methoxy-3-(methoxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylsulfinylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methoxy-3-(methoxymethyl)-8-oxo-7-[[2-(2-thienylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-methoxy-3-(methoxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylsulfinylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methoxy-3-(methoxymethyl)-8-oxo-7-[(2-thiophen-2-ylsulfinylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-methoxy-3-(methoxymethyl)-7-[[2-(2-thienylsulfinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H18N2O7S3 MolecularWeight: 446.51832

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(N2C(C(C2=O)(NC(=O)CS(=O)C3=CC=CS3)OC)SC1)C(=O)O

Isomeric SMILES

COCC1=C(N2C(C(C2=O)(NC(=O)CS(=O)C3=CC=CS3)OC)SC1)C(=O)O

InChI

InChI=1S/C16H18N2O7S3/c1-24-6-9-7-27-15-16(25-2,14(22)18(15)12(9)13(20)21)17-10(19)8-28(23)11-4-3-5-26-11/h3-5,15H,6-8H2,1-2H3,(H,17,19)(H,20,21)