(6S)-3-(acetyloxymethyl)-7-[[3-azanyl-3-(furan-2-yl)propanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S)-3-(acetyloxymethyl)-7-[[3-azanyl-3-(furan-2-yl)propanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S)-3-(acetoxymethyl)-7-[[3-amino-3-(2-furyl)propanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S)-3-(acetyloxymethyl)-7-[[3-amino-3-(2-furanyl)-1-oxopropyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S)-3-(acetyloxymethyl)-7-[[3-amino-3-(furan-2-yl)propanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-3-(acetoxymethyl)-7-[[3-amino-3-(2-furyl)propanoyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC(C3=CC=CO3)N)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2[C@H](C(C2=O)NC(=O)CC(C3=CC=CO3)N)SC1)C(=O)O

InChI

InChI=1S/C17H19N3O7S/c1-8(21)27-6-9-7-28-16-13(15(23)20(16)14(9)17(24)25)19-12(22)5-10(18)11-3-2-4-26-11/h2-4,10,13,16H,5-7,18H2,1H3,(H,19,22)(H,24,25)/t10?,13?,16-/m0/s1