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

Systemtic Name: ethyl 4-[2-(2-cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C(=C(S3)C)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C(=C(S3)C)C)C4CC4

InChI

InChI=1S/C22H23N3O3S2/c1-4-28-22(27)15-7-9-16(10-8-15)23-17(26)11-29-20-18-12(2)13(3)30-21(18)25-19(24-20)14-5-6-14/h7-10,14H,4-6,11H2,1-3H3,(H,23,26)