tert-butyl 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid tert-butyl ester Formula: C18H17ClN2O2S2 MolecularWeight: 392.92278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O2S2/c1-18(2,3)23-14(22)9-25-17-15-13(8-24-16(15)20-10-21-17)11-4-6-12(19)7-5-11/h4-8,10H,9H2,1-3H3