methyl 4-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoylamino)methyl]benzoate Openeye Name: methyl 4-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoylamino)methyl]benzoate CAS Name: 4-[[[1-oxo-2-(4-thieno[3,2-d]pyrimidinylthio)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanoylamino)methyl]benzoate Traditional Name: 4-[[2-(thieno[3,2-d]pyrimidin-4-ylthio)propanoylamino]methyl]benzoic acid methyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC=NC3=C2SC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC=NC3=C2SC=C3

InChI

InChI=1S/C18H17N3O3S2/c1-11(26-17-15-14(7-8-25-15)20-10-21-17)16(22)19-9-12-3-5-13(6-4-12)18(23)24-2/h3-8,10-11H,9H2,1-2H3,(H,19,22)