[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C24H16N2O3S MolecularWeight: 412.46044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H16N2O3S/c1-28-21-14-16(11-12-20(21)29-24(27)17-7-3-2-4-8-17)13-18(15-25)23-26-19-9-5-6-10-22(19)30-23/h2-14H,1H3/b18-13+