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

Systemtic Name: 2-acetamido-4-methyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pent-4-enamide Openeye Name: 2-acetamido-4-methyl-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-enamide CAS Name: 2-acetamido-4-methyl-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-4-pentenamide IUPAC Name: 2-acetamido-4-methyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pent-4-enamide Traditional Name: 2-acetamido-4-methyl-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]pent-4-enamide Formula: C21H23N3O2S3 MolecularWeight: 445.62122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3)NC(=O)C

Isomeric SMILES

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3)NC(=O)C

InChI

InChI=1S/C21H23N3O2S3/c1-13(2)10-18(22-14(3)25)20(26)23-16-4-5-17-19(11-16)29-21(24-17)28-9-7-15-6-8-27-12-15/h4-6,8,11-12,18H,1,7,9-10H2,2-3H3,(H,22,25)(H,23,26)