methyl 4-ethanoyl-1-oxidanylidene-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate

Systemtic Name: methyl 4-ethanoyl-1-oxidanylidene-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: methyl 4-acetyl-1-oxo-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: 4-acetyl-1-oxo-3-pyrido[2,1-b][1,3]benzothiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-acetyl-1-oxopyrido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: 4-acetyl-1-keto-pyrido[2,1-b][1,3]benzothiazole-3-carboxylic acid methyl ester Formula: C15H11NO4S MolecularWeight: 301.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2N(C3=CC=CC=C3S2)C(=O)C=C1C(=O)OC

Isomeric SMILES

CC(=O)C1=C2N(C3=CC=CC=C3S2)C(=O)C=C1C(=O)OC

InChI

InChI=1S/C15H11NO4S/c1-8(17)13-9(15(19)20-2)7-12(18)16-10-5-3-4-6-11(10)21-14(13)16/h3-7H,1-2H3