methyl 2-[2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[6-(1-oxopropylamino)-1,3-benzothiazol-2-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(6-propionamido-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H19N3O4S2/c1-3-17(24)21-12-8-9-15-16(10-12)29-20(23-15)28-11-18(25)22-14-7-5-4-6-13(14)19(26)27-2/h4-10H,3,11H2,1-2H3,(H,21,24)(H,22,25)