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

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide trihydrate Openeye Name: 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide trihydrate CAS Name: 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide trihydrate IUPAC Name: 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide trihydrate Traditional Name: 7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide trihydrate Formula: C16H25N3O6S MolecularWeight: 387.4512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)N)C.O.O.O

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)N)C.O.O.O

InChI

InChI=1S/C16H19N3O3S.3H2O/c1-16(2)12(13(17)21)19-14(22)11(15(19)23-16)18-10(20)8-9-6-4-3-5-7-9;;;/h3-7,11-12,15H,8H2,1-2H3,(H2,17,21)(H,18,20);3*1H2