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

Systemtic Name: methyl 3-[3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-13-14(2)29-21-19(13)20(22-12-23-21)28-10-9-17(25)24-16(11-18(26)27-3)15-7-5-4-6-8-15/h4-8,12,16H,9-11H2,1-3H3,(H,24,25)