sodium (2S,5R,6R)-6-[2-(3,4-dihydro-1H-isochromen-1-ylsulfanyl)ethanoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium (2S,5R,6R)-6-[2-(3,4-dihydro-1H-isochromen-1-ylsulfanyl)ethanoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S,5R,6R)-6-[(2-isochroman-1-ylsulfanylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (2S,5R,6R)-6-[[2-(3,4-dihydro-1H-2-benzopyran-1-ylthio)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (2S,5R,6R)-6-[[2-(3,4-dihydro-1H-isochromen-1-ylsulfanyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S,5R,6R)-6-[[2-(isochroman-1-ylthio)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C19H21N2NaO5S2 MolecularWeight: 444.50021

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CSC3C4=CC=CC=C4CCO3)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3C4=CC=CC=C4CCO3)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C19H22N2O5S2.Na/c1-19(2)14(17(24)25)21-15(23)13(16(21)28-19)20-12(22)9-27-18-11-6-4-3-5-10(11)7-8-26-18;/h3-6,13-14,16,18H,7-9H2,1-2H3,(H,20,22)(H,24,25);/q;+1/p-1/t13-,14+,16-,18?;/m1./s1