sodium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(ethylcarbamoyloxy)-4-oxidanylidene-butanoate

Systemtic Name: sodium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(ethylcarbamoyloxy)-4-oxidanylidene-butanoate Openeye Name: sodium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(ethylcarbamoyloxy)-4-oxo-butanoate CAS Name: sodium 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-(ethylcarbamoyloxy)-4-oxobutanoate IUPAC Name: sodium 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(ethylcarbamoyloxy)-4-oxobutanoate Traditional Name: sodium 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-(ethylcarbamoyloxy)-4-keto-butyrate Formula: C15H15N2NaO5S2 MolecularWeight: 390.40977

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)OC(=O)C(CC(=O)[O-])CSC1=NC2=CC=CC=C2S1.[Na+]

Isomeric SMILES

CCNC(=O)OC(=O)C(CC(=O)[O-])CSC1=NC2=CC=CC=C2S1.[Na+]

InChI

InChI=1S/C15H16N2O5S2.Na/c1-2-16-14(21)22-13(20)9(7-12(18)19)8-23-15-17-10-5-3-4-6-11(10)24-15;/h3-6,9H,2,7-8H2,1H3,(H,16,21)(H,18,19);/q;+1/p-1