[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C21H20N2O4S/c1-14(24)22-10-2-3-15-4-6-16(7-5-15)19(25)12-27-21(26)17-8-9-18-20(11-17)28-13-23-18/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,24)