2-ethoxycarbonyloxyethyl 6-[(2-azanyl-2-phenyl-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 2-ethoxycarbonyloxyethyl 6-[(2-azanyl-2-phenyl-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 2-ethoxycarbonyloxyethyl 6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-[(2-amino-1-oxo-2-phenylethyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-ethoxycarbonyloxyethyl ester IUPAC Name: 2-ethoxycarbonyloxyethyl 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[(2-amino-2-phenyl-acetyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-carbethoxyoxyethyl ester Formula: C21H27N3O7S MolecularWeight: 465.51998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCCOC(=O)C1C(SC2N1C(=O)C2NC(=O)C(C3=CC=CC=C3)N)(C)C

Isomeric SMILES

CCOC(=O)OCCOC(=O)C1C(SC2N1C(=O)C2NC(=O)C(C3=CC=CC=C3)N)(C)C

InChI

InChI=1S/C21H27N3O7S/c1-4-29-20(28)31-11-10-30-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)12-8-6-5-7-9-12/h5-9,13-15,18H,4,10-11,22H2,1-3H3,(H,23,25)