dimethyl 2-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[2-(1,3-benzothiazol-2-yl)pyrrolidino]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H23N3O5S/c1-30-22(28)14-9-10-15(23(29)31-2)17(12-14)24-20(27)13-26-11-5-7-18(26)21-25-16-6-3-4-8-19(16)32-21/h3-4,6,8-10,12,18H,5,7,11,13H2,1-2H3,(H,24,27)