methyl 4-methyl-3-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate CAS Name: 4-methyl-3-[[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Traditional Name: 3-[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C18H17N3O4S/c1-11-3-4-12(18(24)25-2)9-14(11)20-15(22)5-7-21-10-19-16-13(17(21)23)6-8-26-16/h3-4,6,8-10H,5,7H2,1-2H3,(H,20,22)