2-(3-methoxy-4-prop-2-ynoxy-phenyl)-1,3-benzothiazole

Systemtic Name: 2-(3-methoxy-4-prop-2-ynoxy-phenyl)-1,3-benzothiazole Openeye Name: 2-(3-methoxy-4-prop-2-ynoxy-phenyl)-1,3-benzothiazole CAS Name: 2-(3-methoxy-4-prop-2-ynoxyphenyl)-1,3-benzothiazole IUPAC Name: 2-(3-methoxy-4-prop-2-ynoxyphenyl)-1,3-benzothiazole Traditional Name: 2-(3-methoxy-4-propargyloxy-phenyl)-1,3-benzothiazole Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCC#C

InChI

InChI=1S/C17H13NO2S/c1-3-10-20-14-9-8-12(11-15(14)19-2)17-18-13-6-4-5-7-16(13)21-17/h1,4-9,11H,10H2,2H3