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

Systemtic Name: methyl 2-[2-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[(5-ethyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C17H16N4O5S2/c1-3-9-13(23)20-16(21-14(9)24)27-7-12(22)19-17-18-10-5-4-8(15(25)26-2)6-11(10)28-17/h4-6H,3,7H2,1-2H3,(H,18,19,22)(H2,20,21,23,24)