sodium (2S)-3,3-dimethyl-6-(2-naphthalen-2-ylethylcarbamoylamino)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium (2S)-3,3-dimethyl-6-(2-naphthalen-2-ylethylcarbamoylamino)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S)-3,3-dimethyl-6-[2-(2-naphthyl)ethylcarbamoylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (2S)-3,3-dimethyl-6-[[[2-(2-naphthalenyl)ethylamino]-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (2S)-3,3-dimethyl-6-(2-naphthalen-2-ylethylcarbamoylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S)-7-keto-3,3-dimethyl-6-[2-(2-naphthyl)ethylcarbamoylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C21H22N3NaO4S MolecularWeight: 435.47185

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)NCCC3=CC4=CC=CC=C4C=C3)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1([C@@H](N2C(S1)C(C2=O)NC(=O)NCCC3=CC4=CC=CC=C4C=C3)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C21H23N3O4S.Na/c1-21(2)16(19(26)27)24-17(25)15(18(24)29-21)23-20(28)22-10-9-12-7-8-13-5-3-4-6-14(13)11-12;/h3-8,11,15-16,18H,9-10H2,1-2H3,(H,26,27)(H2,22,23,28);/q;+1/p-1/t15?,16-,18?;/m0./s1