dimethyl 5-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C=CC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C20H16N2O5S/c1-26-19(24)12-9-13(20(25)27-2)11-14(10-12)21-17(23)7-8-18-22-15-5-3-4-6-16(15)28-18/h3-11H,1-2H3,(H,21,23)/b8-7+