ethyl 4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C20H20N2O4S2/c1-3-25-15-9-10-16-17(11-15)28-20(22-16)27-12-18(23)21-14-7-5-13(6-8-14)19(24)26-4-2/h5-11H,3-4,12H2,1-2H3,(H,21,23)