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

Systemtic Name: methyl 2-[2-(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3-ethyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(3-ethyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-ethyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H17N3O4S2/c1-3-21-16(23)15-13(8-9-26-15)20-18(21)27-10-14(22)19-12-7-5-4-6-11(12)17(24)25-2/h4-9H,3,10H2,1-2H3,(H,19,22)