O1-methyl O4-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: 1-O-methyl 4-O-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-(2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCCC4

InChI

InChI=1S/C20H18N2O4S/c1-25-18(23)13-4-6-14(7-5-13)19(24)26-15-8-9-16-17(12-15)27-20(21-16)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3