3-(1-azanyl-2-phenyl-ethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-azanyl-2-phenyl-ethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-amino-2-phenyl-ethyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(1-amino-2-phenylethyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-amino-2-phenylethyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(1-amino-2-phenyl-ethyl)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C(CC3=CC=CC=C3)N)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)C(CC3=CC=CC=C3)N)C(=O)O)O

InChI

InChI=1S/C16H18N2O4S/c1-8(19)11-14(20)18-12(16(21)22)13(23-15(11)18)10(17)7-9-5-3-2-4-6-9/h2-6,8,10-11,15,19H,7,17H2,1H3,(H,21,22)