methyl 3-(1-hydroxyethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: methyl 3-(1-hydroxyethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: methyl 3-(1-hydroxyethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-(1-hydroxyethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(1-hydroxyethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-(1-hydroxyethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid methyl ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC2C(C(=O)N2C1C(=O)OC)NC(=O)CC3=CC=CS3)O

Isomeric SMILES

CC(C1=CSC2C(C(=O)N2C1C(=O)OC)NC(=O)CC3=CC=CS3)O

InChI

InChI=1S/C16H18N2O5S2/c1-8(19)10-7-25-15-12(14(21)18(15)13(10)16(22)23-2)17-11(20)6-9-4-3-5-24-9/h3-5,7-8,12-13,15,19H,6H2,1-2H3,(H,17,20)