3-[[3-[(E)-2-(7-chloranyl-1,3-benzothiazol-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-methyl]benzoic acid

Systemtic Name: 3-[[3-[(E)-2-(7-chloranyl-1,3-benzothiazol-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-methyl]benzoic acid Openeye Name: 3-[[3-[(E)-2-(7-chloro-1,3-benzothiazol-2-yl)vinyl]phenyl]-[3-(dimethylamino)-3-oxo-propyl]sulfanyl-methyl]benzoic acid CAS Name: 3-[[3-[(E)-2-(7-chloro-1,3-benzothiazol-2-yl)ethenyl]phenyl]-[[3-(dimethylamino)-3-oxopropyl]thio]methyl]benzoic acid IUPAC Name: 3-[[3-[(E)-2-(7-chloro-1,3-benzothiazol-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[3-[(E)-2-(7-chloro-1,3-benzothiazol-2-yl)vinyl]phenyl]-[[3-(dimethylamino)-3-keto-propyl]thio]methyl]benzoic acid Formula: C28H25ClN2O3S2 MolecularWeight: 537.0927

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(S2)C(=CC=C3)Cl)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CN(C)C(=O)CCSC(C1=CC=CC(=C1)/C=C/C2=NC3=C(S2)C(=CC=C3)Cl)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C28H25ClN2O3S2/c1-31(2)25(32)14-15-35-26(20-8-4-9-21(17-20)28(33)34)19-7-3-6-18(16-19)12-13-24-30-23-11-5-10-22(29)27(23)36-24/h3-13,16-17,26H,14-15H2,1-2H3,(H,33,34)/b13-12+