2-[(5-ethoxycarbonyl-1,3-benzothiazol-2-yl)sulfanyl]decanoate

Systemtic Name: 2-[(5-ethoxycarbonyl-1,3-benzothiazol-2-yl)sulfanyl]decanoate Openeye Name: 2-[(5-ethoxycarbonyl-1,3-benzothiazol-2-yl)sulfanyl]decanoate CAS Name: 2-[(5-ethoxycarbonyl-1,3-benzothiazol-2-yl)thio]decanoate IUPAC Name: 2-[(5-ethoxycarbonyl-1,3-benzothiazol-2-yl)sulfanyl]decanoate Traditional Name: 2-[(5-carbethoxy-1,3-benzothiazol-2-yl)thio]caprate Formula: C20H26NO4S2- MolecularWeight: 408.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)[O-])SC1=NC2=C(S1)C=CC(=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCC(C(=O)[O-])SC1=NC2=C(S1)C=CC(=C2)C(=O)OCC

InChI

InChI=1S/C20H27NO4S2/c1-3-5-6-7-8-9-10-17(18(22)23)27-20-21-15-13-14(19(24)25-4-2)11-12-16(15)26-20/h11-13,17H,3-10H2,1-2H3,(H,22,23)/p-1