methyl 2-[[6-[2-(2,3,4-trimethoxyphenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[2-(2,3,4-trimethoxyphenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[1-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC)OC)OC

InChI

InChI=1S/C21H22N2O6S2/c1-26-15-8-5-12(19(28-3)20(15)29-4)9-17(24)22-13-6-7-14-16(10-13)31-21(23-14)30-11-18(25)27-2/h5-8,10H,9,11H2,1-4H3,(H,22,24)