2-[[6-(hex-5-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-(hex-5-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-(hex-5-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-(1-oxohex-5-ynylamino)-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-(hex-5-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-(hex-5-ynoylamino)-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC#C

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC#C

InChI

InChI=1S/C17H18N2O3S2/c1-3-4-5-6-16(21)18-13-7-8-14-15(11-13)24-17(19-14)23-10-9-22-12(2)20/h1,7-8,11H,4-6,9-10H2,2H3,(H,18,21)