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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

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