1-cyclopropylethyl 3-methyl-8-oxidanylidene-3-phenylazanyl-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: 1-cyclopropylethyl 3-methyl-8-oxidanylidene-3-phenylazanyl-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: 1-cyclopropylethyl 3-anilino-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-anilino-3-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid 1-cyclopropylethyl ester IUPAC Name: 1-cyclopropylethyl 3-anilino-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-anilino-8-keto-3-methyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid 1-cyclopropylethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)OC(=O)C2C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)(C)NC5=CC=CC=C5

Isomeric SMILES

CC(C1CC1)OC(=O)C2C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)(C)NC5=CC=CC=C5

InChI

InChI=1S/C27H31N3O4S/c1-17(19-13-14-19)34-26(33)23-27(2,29-20-11-7-4-8-12-20)16-35-25-22(24(32)30(23)25)28-21(31)15-18-9-5-3-6-10-18/h3-12,17,19,22-23,25,29H,13-16H2,1-2H3,(H,28,31)