4-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-3-methyl-benzoic acid Openeye Name: 4-[5-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-furyl]-3-methyl-benzoic acid CAS Name: 4-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-furanyl]-3-methylbenzoic acid IUPAC Name: 4-[5-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-3-methylbenzoic acid Traditional Name: 4-[5-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]-2-furyl]-3-methyl-benzoic acid Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=N/NC3=NC4=CC=CC=C4S3

InChI

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