[1-(1,3-benzothiazol-2-yl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl] 4-methoxybenzoate

Systemtic Name: [1-(1,3-benzothiazol-2-yl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl] 4-methoxybenzoate Openeye Name: [1-(1,3-benzothiazol-2-yl)-4-oxo-cyclohexa-2,5-dien-1-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [1-(1,3-benzothiazol-2-yl)-4-oxo-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1,3-benzothiazol-2-yl)-4-oxocyclohexa-2,5-dien-1-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [1-(1,3-benzothiazol-2-yl)-4-keto-cyclohexa-2,5-dien-1-yl] ester Formula: C21H15NO4S MolecularWeight: 377.4131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15NO4S/c1-25-16-8-6-14(7-9-16)19(24)26-21(12-10-15(23)11-13-21)20-22-17-4-2-3-5-18(17)27-20/h2-13H,1H3