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

Systemtic Name: methyl 3-[2-(5,6-dimethyl-2-propan-2-yl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(2-isopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(5,6-dimethyl-2-propan-2-yl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(2-isopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C(C)C)SCC(=O)NC3=CC=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C(C)C)SCC(=O)NC3=CC=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C21H23N3O3S2/c1-11(2)18-23-19(17-12(3)13(4)29-20(17)24-18)28-10-16(25)22-15-8-6-7-14(9-15)21(26)27-5/h6-9,11H,10H2,1-5H3,(H,22,25)