5-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxy-1,2-benzothiazol-3-one

Systemtic Name: 5-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxy-1,2-benzothiazol-3-one Openeye Name: 5-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxy-1,2-benzothiazol-3-one CAS Name: 5-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxy-1,2-benzothiazol-3-one IUPAC Name: 5-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxy-1,2-benzothiazol-3-one Traditional Name: 7-amoxy-5-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-benzothiazol-3-one Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C2C(=CC(=C1OC)CCC3=CC=C(C=C3)O)C(=O)NS2

Isomeric SMILES

CCCCCOC1=C2C(=CC(=C1OC)CCC3=CC=C(C=C3)O)C(=O)NS2

InChI

InChI=1S/C21H25NO4S/c1-3-4-5-12-26-19-18(25-2)15(13-17-20(19)27-22-21(17)24)9-6-14-7-10-16(23)11-8-14/h7-8,10-11,13,23H,3-6,9,12H2,1-2H3,(H,22,24)