methyl 2-[2-(3-butan-2-yl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(3-butan-2-yl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-oxo-3-sec-butyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(3-butan-2-yl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-butan-2-yl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(4-keto-3-sec-butyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC(C)N1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H21N3O4S2/c1-4-12(2)23-18(25)17-15(9-10-28-17)22-20(23)29-11-16(24)21-14-8-6-5-7-13(14)19(26)27-3/h5-10,12H,4,11H2,1-3H3,(H,21,24)