ethyl 2-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]acetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H19N5O4S2 MolecularWeight: 481.54736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=O)C=C(N3C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=O)C=C(N3C4=CC=CC=C4)N

InChI

InChI=1S/C22H19N5O4S2/c1-2-31-20(30)13-8-9-15-16(10-13)33-21(24-15)25-19(29)12-32-22-26-18(28)11-17(23)27(22)14-6-4-3-5-7-14/h3-11H,2,12,23H2,1H3,(H,24,25,29)