2-acetamido-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-ynamide

Systemtic Name: 2-acetamido-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-ynamide Openeye Name: 2-acetamido-N-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-ynamide CAS Name: 2-acetamido-N-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1,3-benzothiazol-6-yl]-4-pentynamide IUPAC Name: 2-acetamido-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-ynamide Traditional Name: 2-acetamido-N-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1,3-benzothiazol-6-yl]pent-4-ynamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C(CC#C)NC(=O)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C(CC#C)NC(=O)C

InChI

InChI=1S/C20H20N4O3S2/c1-5-6-17(21-13(4)25)19(26)22-14-7-8-16-18(9-14)29-20(23-16)28-10-15-11(2)24-27-12(15)3/h1,7-9,17H,6,10H2,2-4H3,(H,21,25)(H,22,26)