methyl 4-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3S2/c1-15(21(28)25-13-16-8-10-18(11-9-16)24(29)30-2)31-22-19-12-20(17-6-4-3-5-7-17)32-23(19)27-14-26-22/h3-12,14-15H,13H2,1-2H3,(H,25,28)