[4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17N3O3S/c1-27-17-12-8-16(9-13-17)21(26)28-18-10-6-15(7-11-18)14-23-25-22-24-19-4-2-3-5-20(19)29-22/h2-14H,1H3,(H,24,25)/b23-14+