7-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-(2-pyrrolidin-1-ium-1-ylethoxy)ethanol

Systemtic Name: 7-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-(2-pyrrolidin-1-ium-1-ylethoxy)ethanol Openeye Name: 7-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-(2-pyrrolidin-1-ium-1-ylethoxy)ethanol CAS Name: 7-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-[2-(1-pyrrolidin-1-iumyl)ethoxy]ethanol IUPAC Name: 7-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-(2-pyrrolidin-1-ium-1-ylethoxy)ethanol Traditional Name: 8-keto-7-methyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-(2-pyrrolidin-1-ium-1-ylethoxy)ethanol Formula: C24H33N3O6S MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])NC(=O)CC3=CC=CC=C3.C1CC[NH+](C1)CCOCCO

Isomeric SMILES

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])NC(=O)CC3=CC=CC=C3.C1CC[NH+](C1)CCOCCO

InChI

InChI=1S/C16H16N2O4S.C8H17NO2/c1-16(17-12(19)9-10-5-3-2-4-6-10)14(22)18-11(13(20)21)7-8-23-15(16)18;10-6-8-11-7-5-9-3-1-2-4-9/h2-7,15H,8-9H2,1H3,(H,17,19)(H,20,21);10H,1-8H2