dimethyl 2-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(5-chloro-1,3-benzoxazol-2-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H15ClN2O6S MolecularWeight: 434.8502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C19H15ClN2O6S/c1-26-17(24)10-3-5-12(18(25)27-2)13(7-10)21-16(23)9-29-19-22-14-8-11(20)4-6-15(14)28-19/h3-8H,9H2,1-2H3,(H,21,23)