3-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-2-methyl-benzoic acid

Systemtic Name: 3-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-furyl]-2-methyl-benzoic acid Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=NNC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=N/NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N3O3S/c1-12-14(5-4-6-15(12)19(24)25)17-10-9-13(26-17)11-21-23-20-22-16-7-2-3-8-18(16)27-20/h2-11H,1H3,(H,22,23)(H,24,25)/b21-11+