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

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

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

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