2-acetamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide

Systemtic Name: 2-acetamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Openeye Name: 2-acetamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide CAS Name: 2-acetamido-N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-4-methyl-4-pentenamide IUPAC Name: 2-acetamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methylpent-4-enamide Traditional Name: 2-acetamido-4-methyl-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]pent-4-enamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3OC)NC(=O)C

Isomeric SMILES

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3OC)NC(=O)C

InChI

InChI=1S/C23H25N3O3S2/c1-14(2)11-19(24-15(3)27)22(28)25-17-9-10-18-21(12-17)31-23(26-18)30-13-16-7-5-6-8-20(16)29-4/h5-10,12,19H,1,11,13H2,2-4H3,(H,24,27)(H,25,28)