prop-2-enyl (5R,6S)-3-[[(3S)-3-aminocarbonylpiperidin-1-yl]methyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl (5R,6S)-3-[[(3S)-3-aminocarbonylpiperidin-1-yl]methyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: allyl (5R,6S)-3-[[(3S)-3-carbamoyl-1-piperidyl]methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5R,6S)-3-[[(3S)-3-carbamoyl-1-piperidinyl]methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (5R,6S)-3-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5R,6S)-3-[[(3S)-3-carbamoylpiperidino]methyl]-6-[(1R)-1-hydroxyethyl]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)CN3CCCC(C3)C(=O)N)C(=O)OCC=C)O

Isomeric SMILES

C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)CN3CCC[C@@H](C3)C(=O)N)C(=O)OCC=C)O

InChI

InChI=1S/C18H25N3O5S/c1-3-7-26-18(25)14-12(9-20-6-4-5-11(8-20)15(19)23)27-17-13(10(2)22)16(24)21(14)17/h3,10-11,13,17,22H,1,4-9H2,2H3,(H2,19,23)/t10-,11+,13+,17-/m1/s1