3-(1-azanyl-2-methyl-propan-2-yl)sulfanyl-7-oxidanylidene-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-azanyl-2-methyl-propan-2-yl)sulfanyl-7-oxidanylidene-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-amino-1,1-dimethyl-ethyl)sulfanyl-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(1-amino-2-methylpropan-2-yl)thio]-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-amino-2-methylpropan-2-yl)sulfanyl-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(2-amino-1,1-dimethyl-ethyl)thio]-7-keto-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)SC1=C(N2C(C1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(CN)SC1=C(N2C(C1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H23N3O4S/c1-19(2,10-20)27-13-9-12-15(17(24)22(12)16(13)18(25)26)21-14(23)8-11-6-4-3-5-7-11/h3-7,12,15H,8-10,20H2,1-2H3,(H,21,23)(H,25,26)