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

Systemtic Name: ethyl 4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H17ClN2O3S2 MolecularWeight: 372.89008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O3S2/c1-2-21-14(20)4-3-7-17-13(19)9-22-15-18-11-8-10(16)5-6-12(11)23-15/h5-6,8H,2-4,7,9H2,1H3,(H,17,19)