1-cyclopropylethyl 3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 1-cyclopropylethyl 3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 1-cyclopropylethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-cyclopropylethyl ester IUPAC Name: 1-cyclopropylethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-cyclopropylethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)OC(=O)C2C(SC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)(C)C

Isomeric SMILES

CC(C1CC1)OC(=O)C2C(SC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)(C)C

InChI

InChI=1S/C21H26N2O4S/c1-12(14-9-10-14)27-20(26)17-21(2,3)28-19-16(18(25)23(17)19)22-15(24)11-13-7-5-4-6-8-13/h4-8,12,14,16-17,19H,9-11H2,1-3H3,(H,22,24)