methyl 4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C14H15ClN2O3S2 MolecularWeight: 358.8635

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C14H15ClN2O3S2/c1-20-13(19)3-2-6-16-12(18)8-21-14-17-10-7-9(15)4-5-11(10)22-14/h4-5,7H,2-3,6,8H2,1H3,(H,16,18)