3,3-dimethyl-6-(2-phenylethanoylamino)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-6-(2-phenylethanoylamino)-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-6-[(2-phenylacetyl)amino]-7-thioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-6-[(1-oxo-2-phenylethyl)amino]-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-6-[(2-phenylacetyl)amino]-7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 3,3-dimethyl-6-[(2-phenylacetyl)amino]-7-thioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S2/c1-16(2)12(15(20)21)18-13(22)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,20,21)