1-ethoxycarbonyloxyethyl 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 1-ethoxycarbonyloxyethyl 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 3-(acetoxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-carbethoxyoxyethyl ester Formula: C21H24N2O9S2 MolecularWeight: 512.55326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)COC(=O)C

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)COC(=O)C

InChI

InChI=1S/C21H24N2O9S2/c1-4-29-21(28)32-12(3)31-20(27)17-13(9-30-11(2)24)10-34-19-16(18(26)23(17)19)22-15(25)8-14-6-5-7-33-14/h5-7,12,16,19H,4,8-10H2,1-3H3,(H,22,25)