ethyl 2-[[3-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[3-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[3-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 2-[[[3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate Traditional Name: 2-[[3-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoic acid ethyl ester Formula: C26H23ClN4O5S MolecularWeight: 539.00262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)NC4=CC(=C(C=C4)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)NC4=CC(=C(C=C4)C)Cl)C

InChI

InChI=1S/C26H23ClN4O5S/c1-4-36-26(35)17-7-5-6-8-19(17)30-23(33)22-15(3)21-24(37-22)28-13-31(25(21)34)12-20(32)29-16-10-9-14(2)18(27)11-16/h5-11,13H,4,12H2,1-3H3,(H,29,32)(H,30,33)