methyl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]butanoate CAS Name: 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]butanoate Traditional Name: 4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]butyric acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NCCCC(=O)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C16H21N3O3S/c1-19(10-14(20)17-9-5-8-16(21)22-2)11-15-18-12-6-3-4-7-13(12)23-15/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)