sodium 3,3-dimethyl-7-oxidanylidene-6-[(2-phenylazanylphenyl)carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3,3-dimethyl-7-oxidanylidene-6-[(2-phenylazanylphenyl)carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[(2-anilinobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[[(2-anilinophenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[(2-anilinobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[(2-anilinobenzoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C21H20N3NaO4S MolecularWeight: 433.45597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3NC4=CC=CC=C4)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=CC=CC=C3NC4=CC=CC=C4)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C21H21N3O4S.Na/c1-21(2)16(20(27)28)24-18(26)15(19(24)29-21)23-17(25)13-10-6-7-11-14(13)22-12-8-4-3-5-9-12;/h3-11,15-16,19,22H,1-2H3,(H,23,25)(H,27,28);/q;+1/p-1