propan-2-yl 3-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O3S2/c1-13(2)28-19(27)10-17(16-8-6-5-7-9-16)25-18(26)11-29-21-20-14(3)15(4)30-22(20)24-12-23-21/h5-9,12-13,17H,10-11H2,1-4H3,(H,25,26)