prop-2-enyl (6R,7S)-3-(aminocarbonyloxymethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl (6R,7S)-3-(aminocarbonyloxymethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: allyl (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(carbamoyloxymethyl)-8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid allyl ester Formula: C19H21N3O7S2 MolecularWeight: 467.51594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)OCC=C)NC(=O)CC3=CC=CS3

Isomeric SMILES

CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)OCC=C)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C19H21N3O7S2/c1-3-6-28-15(24)14-11(9-29-18(20)26)10-31-17-19(27-2,16(25)22(14)17)21-13(23)8-12-5-4-7-30-12/h3-5,7,17H,1,6,8-10H2,2H3,(H2,20,26)(H,21,23)/t17-,19+/m1/s1