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

Systemtic Name: methyl 4-[2-(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2-cyclopropyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C3CC3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C3CC3)SCC(=O)NC4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C21H21N3O3S2/c1-11-12(2)29-20-17(11)19(23-18(24-20)13-4-5-13)28-10-16(25)22-15-8-6-14(7-9-15)21(26)27-3/h6-9,13H,4-5,10H2,1-3H3,(H,22,25)