propan-2-yl (6S)-7-azanyl-3-[(2-methanoylfuran-3-yl)carbonylsulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: propan-2-yl (6S)-7-azanyl-3-[(2-methanoylfuran-3-yl)carbonylsulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: isopropyl (6S)-7-amino-3-[(2-formylfuran-3-carbonyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-7-amino-3-[[[(2-formyl-3-furanyl)-oxomethyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6S)-7-amino-3-[(2-formylfuran-3-carbonyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-7-amino-3-[[(2-formyl-3-furoyl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid isopropyl ester Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(CSC2N1C(=O)C2N)CSC(=O)C3=C(OC=C3)C=O

Isomeric SMILES

CC(C)OC(=O)C1=C(CS[C@@H]2N1C(=O)C2N)CSC(=O)C3=C(OC=C3)C=O

InChI

InChI=1S/C17H18N2O6S2/c1-8(2)25-16(22)13-9(6-26-15-12(18)14(21)19(13)15)7-27-17(23)10-3-4-24-11(10)5-20/h3-5,8,12,15H,6-7,18H2,1-2H3/t12?,15-/m0/s1