prop-2-enyl 3-(2-hydroxyethylsulfanylmethyl)-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl 3-(2-hydroxyethylsulfanylmethyl)-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: allyl 3-(2-hydroxyethylsulfanylmethyl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(2-hydroxyethylthio)methyl]-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-(2-hydroxyethylsulfanylmethyl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[(2-hydroxyethylthio)methyl]-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid allyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=C(CSC2N1CC2NC(=O)CC3=CC=CC=C3)CSCCO

Isomeric SMILES

C=CCOC(=O)C1=C(CSC2N1CC2NC(=O)CC3=CC=CC=C3)CSCCO

InChI

InChI=1S/C21H26N2O4S2/c1-2-9-27-21(26)19-16(13-28-10-8-24)14-29-20-17(12-23(19)20)22-18(25)11-15-6-4-3-5-7-15/h2-7,17,20,24H,1,8-14H2,(H,22,25)