7-benzamido-8-oxidanylidene-3-(propan-2-ylcarbamoyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-benzamido-8-oxidanylidene-3-(propan-2-ylcarbamoyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-benzamido-3-(isopropylcarbamoyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-benzamido-8-oxo-3-[oxo-(propan-2-ylamino)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-benzamido-8-oxo-3-(propan-2-ylcarbamoyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-benzamido-3-(isopropylcarbamoyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-9(2)19-15(23)11-8-27-17-12(16(24)21(17)13(11)18(25)26)20-14(22)10-6-4-3-5-7-10/h3-7,9,12,17H,8H2,1-2H3,(H,19,23)(H,20,22)(H,25,26)