(6R,7R)-7-[2-(4-aminophenyl)ethanoylamino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[2-(4-aminophenyl)ethanoylamino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[2-(4-aminophenyl)acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[2-(4-aminophenyl)-1-oxoethyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[2-(4-aminophenyl)acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[2-(4-aminophenyl)acetyl]amino]-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14ClN3O4S MolecularWeight: 367.80736

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=C(C=C3)N)C(=O)O)Cl

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=C(C=C3)N)C(=O)O)Cl

InChI

InChI=1S/C15H14ClN3O4S/c16-9-6-24-14-11(13(21)19(14)12(9)15(22)23)18-10(20)5-7-1-3-8(17)4-2-7/h1-4,11,14H,5-6,17H2,(H,18,20)(H,22,23)/t11-,14-/m1/s1