propan-2-yl 4-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Openeye Name: isopropyl 4-[3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate CAS Name: 4-[[3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxopropyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoic acid isopropyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C

InChI

InChI=1S/C21H23N3O4S/c1-12(2)28-21(27)15-5-7-16(8-6-15)23-17(25)9-10-24-11-22-19-18(20(24)26)13(3)14(4)29-19/h5-8,11-12H,9-10H2,1-4H3,(H,23,25)