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

Systemtic Name: methyl 2-[[6-(hex-5-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-(hex-5-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-(1-oxohex-5-ynylamino)-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-(hex-5-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-(hex-5-ynoylamino)-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC#C

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC#C

InChI

InChI=1S/C16H16N2O3S2/c1-3-4-5-6-14(19)17-11-7-8-12-13(9-11)23-16(18-12)22-10-15(20)21-2/h1,7-9H,4-6,10H2,2H3,(H,17,19)