(6S,7S)-3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-azanylethanol

Systemtic Name: (6S,7S)-3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-azanylethanol Openeye Name: (6S,7S)-3-(acetoxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-aminoethanol CAS Name: (6S,7S)-3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-aminoethanol IUPAC Name: (6S,7S)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-aminoethanol Traditional Name: (6S,7S)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-aminoethanol Formula: C18H23N3O7S2 MolecularWeight: 457.52112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O.C(CO)N

Isomeric SMILES

CC(=O)OCC1=C(N2[C@H]([C@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O.C(CO)N

InChI

InChI=1S/C16H16N2O6S2.C2H7NO/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;3-1-2-4/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);4H,1-3H2/t12-,15-;/m0./s1