dimethyl 5-[2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyloxy]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyloxy]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[2-(1,3-benzothiazol-2-ylthio)acetyl]oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H18N2O7S3 MolecularWeight: 494.56112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C20H18N2O7S3/c1-10-15(18(25)27-2)17(32-16(10)19(26)28-3)22-13(23)8-29-14(24)9-30-20-21-11-6-4-5-7-12(11)31-20/h4-7H,8-9H2,1-3H3,(H,22,23)