O4-(1,3-benzothiazol-2-ylmethyl) O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-(1,3-benzothiazol-2-ylmethyl) O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-(1,3-benzothiazol-2-ylmethyl) O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-(1,3-benzothiazol-2-ylmethyl) ester O1-methyl ester IUPAC Name: 4-O-(1,3-benzothiazol-2-ylmethyl) 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-(1,3-benzothiazol-2-ylmethyl) ester O1-methyl ester Formula: C17H13NO4S MolecularWeight: 327.35442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13NO4S/c1-21-16(19)11-6-8-12(9-7-11)17(20)22-10-15-18-13-4-2-3-5-14(13)23-15/h2-9H,10H2,1H3