6-benzamido-6-(dipropylamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-benzamido-6-(dipropylamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-benzamido-6-(dipropylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-benzamido-6-(dipropylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-benzamido-6-(dipropylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-benzamido-6-(dipropylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C21H29N3O4S MolecularWeight: 419.53766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN(CCC)C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4S/c1-5-12-23(13-6-2)21(22-16(25)14-10-8-7-9-11-14)18(28)24-15(17(26)27)20(3,4)29-19(21)24/h7-11,15,19H,5-6,12-13H2,1-4H3,(H,22,25)(H,26,27)