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

Systemtic Name: methyl 2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC(CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC(CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C20H21N3O3S2/c1-12-13(2)28-19-17(12)18(21-11-22-19)27-10-16(24)23-15(20(25)26-3)9-14-7-5-4-6-8-14/h4-8,11,15H,9-10H2,1-3H3,(H,23,24)