2-[[6-[2-(3-methylbutanoylamino)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[2-(3-methylbutanoylamino)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[[2-(3-methylbutanoylamino)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[2-[(3-methyl-1-oxobutyl)amino]-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[[2-(3-methylbutanoylamino)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[[2-(isovalerylamino)acetyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCOC(=O)C

Isomeric SMILES

CC(C)CC(=O)NCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCOC(=O)C

InChI

InChI=1S/C18H23N3O4S2/c1-11(2)8-16(23)19-10-17(24)20-13-4-5-14-15(9-13)27-18(21-14)26-7-6-25-12(3)22/h4-5,9,11H,6-8,10H2,1-3H3,(H,19,23)(H,20,24)