3-(2-azanylethylsulfanyl)-7-oxidanylidene-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-azanylethylsulfanyl)-7-oxidanylidene-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-aminoethylsulfanyl)-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-aminoethylthio)-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-aminoethylsulfanyl)-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(2-aminoethylthio)-7-keto-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C1SCCN)C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C2C(C(=O)N2C(=C1SCCN)C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O4S/c18-6-7-25-12-9-11-14(16(22)20(11)15(12)17(23)24)19-13(21)8-10-4-2-1-3-5-10/h1-5,11,14H,6-9,18H2,(H,19,21)(H,23,24)