ethyl 3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-butoxy-phenyl]propanoate

Systemtic Name: ethyl 3-[3-(2-azanyl-1,3-benzothiazol-6-yl)-4-butoxy-phenyl]propanoate Openeye Name: ethyl 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-butoxy-phenyl]propanoate CAS Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-butoxyphenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-butoxyphenyl]propanoate Traditional Name: 3-[3-(2-amino-1,3-benzothiazol-6-yl)-4-butoxy-phenyl]propionic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)OCC)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)OCC)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C22H26N2O3S/c1-3-5-12-27-19-10-6-15(7-11-21(25)26-4-2)13-17(19)16-8-9-18-20(14-16)28-22(23)24-18/h6,8-10,13-14H,3-5,7,11-12H2,1-2H3,(H2,23,24)