methyl 2-[2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[(4-hydroxy-6-keto-5-phenyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=C(C(=O)N3)C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=C(C(=O)N3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H16N4O5S2/c1-30-19(29)12-7-8-13-14(9-12)32-21(22-13)23-15(26)10-31-20-24-17(27)16(18(28)25-20)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,22,23,26)(H2,24,25,27,28)