ethyl 3-[4-[(4-methyl-1,3-benzothiazol-2-yl)sulfonyl]butanoylamino]propanoate

Systemtic Name: ethyl 3-[4-[(4-methyl-1,3-benzothiazol-2-yl)sulfonyl]butanoylamino]propanoate Openeye Name: ethyl 3-[4-[(4-methyl-1,3-benzothiazol-2-yl)sulfonyl]butanoylamino]propanoate CAS Name: 3-[[4-[(4-methyl-1,3-benzothiazol-2-yl)sulfonyl]-1-oxobutyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(4-methyl-1,3-benzothiazol-2-yl)sulfonyl]butanoylamino]propanoate Traditional Name: 3-[4-[(4-methyl-1,3-benzothiazol-2-yl)sulfonyl]butanoylamino]propionic acid ethyl ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)CCCS(=O)(=O)C1=NC2=C(C=CC=C2S1)C

Isomeric SMILES

CCOC(=O)CCNC(=O)CCCS(=O)(=O)C1=NC2=C(C=CC=C2S1)C

InChI

InChI=1S/C17H22N2O5S2/c1-3-24-15(21)9-10-18-14(20)8-5-11-26(22,23)17-19-16-12(2)6-4-7-13(16)25-17/h4,6-7H,3,5,8-11H2,1-2H3,(H,18,20)