2-(4-methoxybut-2-ynoxymethylsulfanyl)-1,3-benzothiazole

Systemtic Name: 2-(4-methoxybut-2-ynoxymethylsulfanyl)-1,3-benzothiazole Openeye Name: 2-(4-methoxybut-2-ynoxymethylsulfanyl)-1,3-benzothiazole CAS Name: 2-(4-methoxybut-2-ynoxymethylthio)-1,3-benzothiazole IUPAC Name: 2-(4-methoxybut-2-ynoxymethylsulfanyl)-1,3-benzothiazole Traditional Name: 2-(4-methoxybut-2-ynoxymethylthio)-1,3-benzothiazole Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CCOCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

COCC#CCOCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H13NO2S2/c1-15-8-4-5-9-16-10-17-13-14-11-6-2-3-7-12(11)18-13/h2-3,6-7H,8-10H2,1H3