1-propan-2-yloxycarbonyloxyethyl 8-oxidanylidene-7-(2-phenylethanoylamino)-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 1-propan-2-yloxycarbonyloxyethyl 8-oxidanylidene-7-(2-phenylethanoylamino)-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-isopropoxycarbonyloxyethyl 8-oxo-7-[(2-phenylacetyl)amino]-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-(prop-2-ynylthio)-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 8-oxo-7-[(2-phenylacetyl)amino]-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-(propargylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-isopropoxycarbonyloxyethyl ester Formula: C24H26N2O7S2 MolecularWeight: 518.60244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)SCC#C

Isomeric SMILES

CC(C)OC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)SCC#C

InChI

InChI=1S/C24H26N2O7S2/c1-5-11-34-17-13-35-22-19(25-18(27)12-16-9-7-6-8-10-16)21(28)26(22)20(17)23(29)32-15(4)33-24(30)31-14(2)3/h1,6-10,14-15,19,22H,11-13H2,2-4H3,(H,25,27)