methyl 5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C=C(C#N)C2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C17H12N2O3S/c1-10-13(17(20)21-2)8-12(22-10)7-11(9-18)16-19-14-5-3-4-6-15(14)23-16/h3-8H,1-2H3/b11-7+