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

Systemtic Name: methyl 2-[[6-[2-(3-methylbutanoylamino)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[[2-(3-methylbutanoylamino)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[2-[(3-methyl-1-oxobutyl)amino]-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[[2-(3-methylbutanoylamino)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[[2-(isovalerylamino)acetyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S2/c1-10(2)6-14(21)18-8-15(22)19-11-4-5-12-13(7-11)26-17(20-12)25-9-16(23)24-3/h4-5,7,10H,6,8-9H2,1-3H3,(H,18,21)(H,19,22)