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

Systemtic Name: 2-ethoxycarbonyloxyethyl 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2-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 2-ethoxycarbonyloxyethyl ester IUPAC Name: 2-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 2-carbethoxyoxyethyl ester Formula: C21H24N2O9S2 MolecularWeight: 512.55326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O9S2/c1-3-29-21(28)31-7-6-30-20(27)17-13(10-32-12(2)24)11-34-19-16(18(26)23(17)19)22-15(25)9-14-5-4-8-33-14/h4-5,8,16,19H,3,6-7,9-11H2,1-2H3,(H,22,25)