N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2,4-dimethoxy-benzamide

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2,4-dimethoxy-benzamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-2,4-dimethoxy-benzamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-2,4-dimethoxybenzamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2,4-dimethoxybenzamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-2,4-dimethoxy-benzamide Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC2=C/C(=C\3/NC4=CC=CC=C4S3)/C(=O)C=C2)OC

InChI

InChI=1S/C22H18N2O4S/c1-27-14-8-9-15(19(12-14)28-2)21(26)23-13-7-10-18(25)16(11-13)22-24-17-5-3-4-6-20(17)29-22/h3-12,24H,1-2H3,(H,23,26)/b22-16+