ethyl (5R)-5-[(2R)-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-en-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl (5R)-5-[(2R)-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-en-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: ethyl (5R)-5-[(2R)-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-en-3-yl]-4,5-dihydroisoxazole-3-carboxylate CAS Name: (5R)-5-[(2R)-2-[(4-methoxyphenyl)methoxy-oxomethyl]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-en-3-yl]-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5R)-5-[(2R)-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-en-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: (5R)-5-[(2R)-8-keto-2-p-anisyloxycarbonyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-en-3-yl]-2-isoxazoline-3-carboxylic acid ethyl ester Formula: C29H29N3O8S MolecularWeight: 579.62086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(C1)C2=CSC3C(C(=O)N3C2C(=O)OCC4=CC=C(C=C4)OC)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=NO[C@H](C1)C2=CSC3C(C(=O)N3[C@H]2C(=O)OCC4=CC=C(C=C4)OC)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O8S/c1-3-38-28(35)21-14-22(40-31-21)20-16-41-27-24(30-23(33)13-17-7-5-4-6-8-17)26(34)32(27)25(20)29(36)39-15-18-9-11-19(37-2)12-10-18/h4-12,16,22,24-25,27H,3,13-15H2,1-2H3,(H,30,33)/t22-,24?,25-,27?/m1/s1