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

Systemtic Name: methylsulfanylmethyl 3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methylsulfanylmethyl 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (methylthio)methyl ester IUPAC Name: methylsulfanylmethyl 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-methyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (methylthio)methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OCSC

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OCSC

InChI

InChI=1S/C18H20N2O4S2/c1-11-9-26-17-14(19-13(21)8-12-6-4-3-5-7-12)16(22)20(17)15(11)18(23)24-10-25-2/h3-7,14,17H,8-10H2,1-2H3,(H,19,21)