(6R,7R)-3-(acetyloxymethyl)-7-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(E)-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-8-keto-7-[[(E)-3-(3-methoxyphenyl)acryloyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C=CC3=CC(=CC=C3)OC)SC1)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7S/c1-11(23)29-9-13-10-30-19-16(18(25)22(19)17(13)20(26)27)21-15(24)7-6-12-4-3-5-14(8-12)28-2/h3-8,16,19H,9-10H2,1-2H3,(H,21,24)(H,26,27)/b7-6+/t16-,19-/m1/s1