butyl 3-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 3-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 3-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S2/c1-2-3-12-31-25(30)18-10-7-11-19(13-18)28-22(29)15-32-23-20-14-21(17-8-5-4-6-9-17)33-24(20)27-16-26-23/h4-11,13-14,16H,2-3,12,15H2,1H3,(H,28,29)