8-oxidanylidene-7-(2-phenylazanylethanoylamino)-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-(2-phenylazanylethanoylamino)-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-anilinoacetyl)amino]-8-oxo-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-anilino-1-oxoethyl)amino]-8-oxo-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-anilinoacetyl)amino]-8-oxo-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-anilinoacetyl)amino]-8-keto-3-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C(C(C2=O)NC(=O)CNC3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

CCCC1=C(N2C(C(C2=O)NC(=O)CNC3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C18H21N3O4S/c1-2-6-11-10-26-17-14(16(23)21(17)15(11)18(24)25)20-13(22)9-19-12-7-4-3-5-8-12/h3-5,7-8,14,17,19H,2,6,9-10H2,1H3,(H,20,22)(H,24,25)