methyl 7-methoxy-3-methyl-8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl 7-methoxy-3-methyl-8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl 7-methoxy-3-methyl-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-methoxy-3-methyl-8-oxo-7-[[1-oxo-2-(phenylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-3-methyl-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-methoxy-3-methyl-7-[[2-(phenylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(NC(=O)CSC3=CC=CC=C3)OC)SC1)C(=O)OC

Isomeric SMILES

CC1=C(N2C(C(C2=O)(NC(=O)CSC3=CC=CC=C3)OC)SC1)C(=O)OC

InChI

InChI=1S/C18H20N2O5S2/c1-11-9-27-17-18(25-3,16(23)20(17)14(11)15(22)24-2)19-13(21)10-26-12-7-5-4-6-8-12/h4-8,17H,9-10H2,1-3H3,(H,19,21)