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

Systemtic Name: 1-cyclopropylethyl 3-(bromomethyl)-3-methyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 1-cyclopropylethyl 3-(bromomethyl)-3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(bromomethyl)-3-methyl-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-(bromomethyl)-3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-(bromomethyl)-7-keto-3-methyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-cyclopropylethyl ester Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4S/c1-12(14-8-9-14)28-20(27)17-21(2,11-22)29-19-16(18(26)24(17)19)23-15(25)10-13-6-4-3-5-7-13/h3-7,12,14,16-17,19H,8-11H2,1-2H3,(H,23,25)