3-(4-acetamidophenyl)-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]prop-2-enamide

Systemtic Name: 3-(4-acetamidophenyl)-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]prop-2-enamide Openeye Name: 3-(4-acetamidophenyl)-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]prop-2-enamide CAS Name: 3-(4-acetamidophenyl)-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-2-propenamide IUPAC Name: 3-(4-acetamidophenyl)-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]prop-2-enamide Traditional Name: 3-(4-acetamidophenyl)-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]acrylamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCOCCOC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCOCCOC

InChI

InChI=1S/C22H23N3O4S2/c1-15(26)23-17-6-3-16(4-7-17)5-10-21(27)24-18-8-9-19-20(13-18)31-22(25-19)30-14-29-12-11-28-2/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,24,27)