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

Systemtic Name: 3-(3-azanylpropylsulfanyl)-7-oxidanylidene-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(3-aminopropylsulfanyl)-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(3-aminopropylthio)-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(3-aminopropylsulfanyl)-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(3-aminopropylthio)-7-keto-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C1SCCCN)C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C2C(C(=O)N2C(=C1SCCCN)C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4S/c19-7-4-8-26-13-10-12-15(17(23)21(12)16(13)18(24)25)20-14(22)9-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10,19H2,(H,20,22)(H,24,25)