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

Systemtic Name: methyl 2-[2-(3-cyclohexyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3-cyclohexyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(3-cyclohexyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyclohexyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-cyclohexyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2C4CCCCC4)SC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2C4CCCCC4)SC=C3

InChI

InChI=1S/C22H23N3O4S2/c1-29-21(28)15-9-5-6-10-16(15)23-18(26)13-31-22-24-17-11-12-30-19(17)20(27)25(22)14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,23,26)