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

Systemtic Name: methyl 2-[[6-[2-(2-phenylethenylsulfonyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(2-styrylsulfonylacetyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[1-oxo-2-(2-phenylethenylsulfonyl)ethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[[2-(2-phenylethenylsulfonyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(2-styrylsulfonylacetyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C20H18N2O5S3 MolecularWeight: 462.56232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CS(=O)(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O5S3/c1-27-19(24)12-28-20-22-16-8-7-15(11-17(16)29-20)21-18(23)13-30(25,26)10-9-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,21,23)