(4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(chloromethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(chloromethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-thiazol-4-yl)-2-methyloximino-acetyl]amino]-3-(chloromethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C22H21Cl2N5O6S2 MolecularWeight: 586.46804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)C(=NOC)C4=C(SC(=N4)N)Cl)CCl

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OC)/C4=C(SC(=N4)N)Cl)CCl

InChI

InChI=1S/C22H21Cl2N5O6S2/c1-33-12-5-3-10(4-6-12)8-35-21(32)16-11(7-23)9-36-20-15(19(31)29(16)20)26-18(30)14(28-34-2)13-17(24)37-22(25)27-13/h3-6,15,20H,7-9H2,1-2H3,(H2,25,27)(H,26,30)/b28-14-/t15-,20-/m1/s1