methyl 2-[2-(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(6-ethyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(6-ethyl-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(6-ethyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(6-ethyl-4-keto-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NCC(=O)OC

InChI

InChI=1S/C21H23N3O4S2/c1-3-15-11-16-19(30-15)23-21(29-13-17(25)22-12-18(26)28-2)24(20(16)27)10-9-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,22,25)