ethyl 4-[3-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]butanoate

Systemtic Name: ethyl 4-[3-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]butanoate Openeye Name: ethyl 4-[3-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenoxy]butanoate CAS Name: 4-[3-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]butanoate Traditional Name: 4-[3-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenoxy]butyric acid ethyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=CC(=C1)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CCCOC1=CC=CC(=C1)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO3S/c1-2-24-21(23)11-6-14-25-17-8-5-7-16(15-17)12-13-20-22-18-9-3-4-10-19(18)26-20/h3-5,7-10,12-13,15H,2,6,11,14H2,1H3/b13-12+