[4-(1,3-dithiolan-2-yl)phenyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C19H17NO2S3 MolecularWeight: 387.53878

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17NO2S3/c21-18(10-9-17-20-15-3-1-2-4-16(15)25-17)22-14-7-5-13(6-8-14)19-23-11-12-24-19/h1-8,19H,9-12H2