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

Systemtic Name: ethyl 2-[2-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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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)OCC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S2/c1-3-10-14(24)21-17(22-15(10)25)28-8-13(23)20-18-19-11-6-5-9(7-12(11)29-18)16(26)27-4-2/h5-7H,3-4,8H2,1-2H3,(H,19,20,23)(H2,21,22,24,25)