1-propan-2-yloxycarbonyloxyethyl (6S)-7-[[(2Z)-4-bromanyl-2-hydroxyimino-3-oxidanylidene-butanoyl]amino]-3-(dimethylcarbamoyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 1-propan-2-yloxycarbonyloxyethyl (6S)-7-[[(2Z)-4-bromanyl-2-hydroxyimino-3-oxidanylidene-butanoyl]amino]-3-(dimethylcarbamoyloxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-isopropoxycarbonyloxyethyl (6S)-7-[[(2Z)-4-bromo-2-hydroxyimino-3-oxo-butanoyl]amino]-3-(dimethylcarbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-7-[[(2Z)-4-bromo-2-hydroxyimino-1,3-dioxobutyl]amino]-3-[[dimethylamino(oxo)methoxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-[oxo(propan-2-yloxy)methoxy]ethyl ester IUPAC Name: 1-propan-2-yloxycarbonyloxyethyl (6S)-7-[[(2Z)-4-bromo-2-hydroxyimino-3-oxobutanoyl]amino]-3-(dimethylcarbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-7-[[(2Z)-4-bromo-2-hydroximino-3-keto-butanoyl]amino]-3-(dimethylcarbamoyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-isopropoxycarbonyloxyethyl ester Formula: C21H27BrN4O11S MolecularWeight: 623.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NO)C(=O)CBr)COC(=O)N(C)C

Isomeric SMILES

CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@@H]2N1C(=O)C2NC(=O)/C(=N\O)/C(=O)CBr)COC(=O)N(C)C

InChI

InChI=1S/C21H27BrN4O11S/c1-9(2)35-21(32)37-10(3)36-19(30)15-11(7-34-20(31)25(4)5)8-38-18-14(17(29)26(15)18)23-16(28)13(24-33)12(27)6-22/h9-10,14,18,33H,6-8H2,1-5H3,(H,23,28)/b24-13-/t10?,14?,18-/m0/s1