ethyl (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-1-propan-2-yloxycarbonyloxy-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: ethyl (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-1-propan-2-yloxycarbonyloxy-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: ethyl (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-1-isopropoxycarbonyloxy-3-(methoxymethyl)-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(methoxymethyl)-8-oxo-1-[oxo(propan-2-yloxy)methoxy]-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-1-propan-2-yloxycarbonyloxy-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-1-isopropoxycarbonyloxy-8-keto-3-(methoxymethyl)-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester Formula: C21H28N5O9S2+ MolecularWeight: 558.60512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CSC2[N+]1(C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)N)OC(=O)OC(C)C)COC

Isomeric SMILES

CCOC(=O)C1=C(CS[C@H]2[N+]1(C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)OC(=O)OC(C)C)COC

InChI

InChI=1S/C21H27N5O9S2/c1-6-33-19(29)15-11(7-31-4)8-36-18-14(17(28)26(15,18)35-21(30)34-10(2)3)24-16(27)13(25-32-5)12-9-37-20(22)23-12/h9-10,14,18H,6-8H2,1-5H3,(H2-,22,23,24,27)/p+1/b25-13-/t14-,18-,26?/m1/s1