methyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]butanoate

Systemtic Name: methyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]butanoate Openeye Name: methyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]butanoate CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]butanoate Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]butyric acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCNC(=O)CCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H20N2O3S/c1-21-16(20)10-5-11-17-14(19)8-4-9-15-18-12-6-2-3-7-13(12)22-15/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,19)