3-[4-[2-[6-(3-bromophenyl)carbonyl-2-oxidanylidene-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxy-propanoate

Systemtic Name: 3-[4-[2-[6-(3-bromophenyl)carbonyl-2-oxidanylidene-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxy-propanoate Openeye Name: 3-[4-[2-[6-(3-bromobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxy-propanoate CAS Name: 3-[4-[2-[6-[(3-bromophenyl)-oxomethyl]-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxypropanoate IUPAC Name: 3-[4-[2-[6-(3-bromobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxypropanoate Traditional Name: 3-[4-[2-[6-(3-bromobenzoyl)-2-keto-1,3-benzothiazol-3-yl]ethoxy]phenyl]-2-ethoxy-propionate Formula: C27H23BrNO6S- MolecularWeight: 569.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CC(=CC=C4)Br)SC2=O)C(=O)[O-]

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CC(=CC=C4)Br)SC2=O)C(=O)[O-]

InChI

InChI=1S/C27H24BrNO6S/c1-2-34-23(26(31)32)14-17-6-9-21(10-7-17)35-13-12-29-22-11-8-19(16-24(22)36-27(29)33)25(30)18-4-3-5-20(28)15-18/h3-11,15-16,23H,2,12-14H2,1H3,(H,31,32)/p-1