2-acetamido-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide

Systemtic Name: 2-acetamido-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Openeye Name: 2-acetamido-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide CAS Name: 2-acetamido-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-4-methyl-4-pentenamide IUPAC Name: 2-acetamido-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-4-methylpent-4-enamide Traditional Name: 2-acetamido-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC(C)(C)OC)NC(=O)C

Isomeric SMILES

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC(C)(C)OC)NC(=O)C

InChI

InChI=1S/C21H29N3O3S2/c1-13(2)11-17(22-14(3)25)19(26)23-15-7-8-16-18(12-15)29-20(24-16)28-10-9-21(4,5)27-6/h7-8,12,17H,1,9-11H2,2-6H3,(H,22,25)(H,23,26)