dimethyl 5-[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H16N2O5S2 MolecularWeight: 452.50284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C22H16N2O5S2/c1-28-21(26)12-9-13(22(27)29-2)11-14(10-12)23-19(25)17-7-8-18(30-17)20-24-15-5-3-4-6-16(15)31-20/h3-11H,1-2H3,(H,23,25)