methyl 4-(4-methoxyphenyl)carbonyl-1-oxidanylidene-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)carbonyl-1-oxidanylidene-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: methyl 4-(4-methoxybenzoyl)-1-oxo-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: 4-[(4-methoxyphenyl)-oxomethyl]-1-oxo-3-pyrido[2,1-b][1,3]benzothiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxybenzoyl)-1-oxopyrido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: 1-keto-4-p-anisoyl-pyrido[2,1-b][1,3]benzothiazole-3-carboxylic acid methyl ester Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C3N(C4=CC=CC=C4S3)C(=O)C=C2C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C3N(C4=CC=CC=C4S3)C(=O)C=C2C(=O)OC

InChI

InChI=1S/C21H15NO5S/c1-26-13-9-7-12(8-10-13)19(24)18-14(21(25)27-2)11-17(23)22-15-5-3-4-6-16(15)28-20(18)22/h3-11H,1-2H3