methyl 4-[2-[(4-oxidanylidene-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-oxidanylidene-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(6-isopropyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-oxo-6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-isopropyl-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]acetyl]amino]benzoic acid methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(S1)N=C(NC2=O)CSCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(S1)N=C(NC2=O)CSCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O4S2/c1-11(2)15-8-14-18(25)22-16(23-19(14)29-15)9-28-10-17(24)21-13-6-4-12(5-7-13)20(26)27-3/h4-8,11H,9-10H2,1-3H3,(H,21,24)(H,22,23,25)