methyl 4-[[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC3=C(C=CS3)C(=O)N2C

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC3=C(C=CS3)C(=O)N2C

InChI

InChI=1S/C19H19N3O4S2/c1-11(28-19-21-16-14(8-9-27-16)17(24)22(19)2)15(23)20-10-12-4-6-13(7-5-12)18(25)26-3/h4-9,11H,10H2,1-3H3,(H,20,23)