ethyl 4-[4-[2-azanyl-3-[(6-bromanyl-1,3-benzothiazol-2-yl)oxy]-3-oxidanylidene-propyl]phenoxy]butanoate

Systemtic Name: ethyl 4-[4-[2-azanyl-3-[(6-bromanyl-1,3-benzothiazol-2-yl)oxy]-3-oxidanylidene-propyl]phenoxy]butanoate Openeye Name: ethyl 4-[4-[2-amino-3-[(6-bromo-1,3-benzothiazol-2-yl)oxy]-3-oxo-propyl]phenoxy]butanoate CAS Name: 4-[4-[2-amino-3-[(6-bromo-1,3-benzothiazol-2-yl)oxy]-3-oxopropyl]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-amino-3-[(6-bromo-1,3-benzothiazol-2-yl)oxy]-3-oxopropyl]phenoxy]butanoate Traditional Name: 4-[4-[2-amino-3-[(6-bromo-1,3-benzothiazol-2-yl)oxy]-3-keto-propyl]phenoxy]butyric acid ethyl ester Formula: C22H23BrN2O5S MolecularWeight: 507.39742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)OC2=NC3=C(S2)C=C(C=C3)Br)N

Isomeric SMILES

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)OC2=NC3=C(S2)C=C(C=C3)Br)N

InChI

InChI=1S/C22H23BrN2O5S/c1-2-28-20(26)4-3-11-29-16-8-5-14(6-9-16)12-17(24)21(27)30-22-25-18-10-7-15(23)13-19(18)31-22/h5-10,13,17H,2-4,11-12,24H2,1H3