5-tert-butylthiophene-2-sulfonic acid; [2-(4-chloranyl-2-pyrimidin-2-yl-pyrimidin-5-yl)oxyphenyl] carbamate

Systemtic Name: 5-tert-butylthiophene-2-sulfonic acid; [2-(4-chloranyl-2-pyrimidin-2-yl-pyrimidin-5-yl)oxyphenyl] carbamate Openeye Name: 5-tert-butylthiophene-2-sulfonic acid; [2-(4-chloro-2-pyrimidin-2-yl-pyrimidin-5-yl)oxyphenyl] carbamate CAS Name: 5-tert-butyl-2-thiophenesulfonic acid; carbamic acid [2-[[4-chloro-2-(2-pyrimidinyl)-5-pyrimidinyl]oxy]phenyl] ester IUPAC Name: 5-tert-butylthiophene-2-sulfonic acid; [2-(4-chloro-2-pyrimidin-2-ylpyrimidin-5-yl)oxyphenyl] carbamate Traditional Name: 5-tert-butylthiophene-2-sulfonic acid; carbamic acid [2-[4-chloro-2-(2-pyrimidyl)pyrimidin-5-yl]oxyphenyl] ester Formula: C23H22ClN5O6S2 MolecularWeight: 564.03368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(S1)S(=O)(=O)O.C1=CC=C(C(=C1)OC2=CN=C(N=C2Cl)C3=NC=CC=N3)OC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(S1)S(=O)(=O)O.C1=CC=C(C(=C1)OC2=CN=C(N=C2Cl)C3=NC=CC=N3)OC(=O)N

InChI

InChI=1S/C15H10ClN5O3.C8H12O3S2/c16-12-11(8-20-14(21-12)13-18-6-3-7-19-13)23-9-4-1-2-5-10(9)24-15(17)22;1-8(2,3)6-4-5-7(12-6)13(9,10)11/h1-8H,(H2,17,22);4-5H,1-3H3,(H,9,10,11)