methyl 3-[2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C)SC(=C2C)C

InChI

InChI=1S/C21H23N3O4S2/c1-6-24-19(26)17-12(3)13(4)30-18(17)23-21(24)29-10-16(25)22-15-9-14(20(27)28-5)8-7-11(15)2/h7-9H,6,10H2,1-5H3,(H,22,25)