ethyl 4-[[2-(1,3-benzothiazol-2-ylamino)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(1,3-benzothiazol-2-ylamino)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(1,3-benzothiazol-2-ylamino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[2-(1,3-benzothiazol-2-ylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzothiazol-2-ylamino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylamino)-6-keto-4,5-dihydro-1H-pyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=N2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=N2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N5O4S/c1-2-30-19(29)12-7-9-13(10-8-12)22-18(28)15-11-17(27)25-20(23-15)26-21-24-14-5-3-4-6-16(14)31-21/h3-10,15H,2,11H2,1H3,(H,22,28)(H2,23,24,25,26,27)