[4-[3-(4-methoxy-3-pyrrolidin-1-yl-phenyl)-2-sulfanylidene-1H-imidazol-4-yl]-5-oxidanyl-2-propan-2-yl-phenyl] 2-methylpropanoate

Systemtic Name: [4-[3-(4-methoxy-3-pyrrolidin-1-yl-phenyl)-2-sulfanylidene-1H-imidazol-4-yl]-5-oxidanyl-2-propan-2-yl-phenyl] 2-methylpropanoate Openeye Name: [5-hydroxy-2-isopropyl-4-[3-(4-methoxy-3-pyrrolidin-1-yl-phenyl)-2-thioxo-1H-imidazol-4-yl]phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-hydroxy-4-[3-[4-methoxy-3-(1-pyrrolidinyl)phenyl]-2-sulfanylidene-1H-imidazol-4-yl]-2-propan-2-ylphenyl] ester IUPAC Name: [5-hydroxy-4-[3-(4-methoxy-3-pyrrolidin-1-ylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-propan-2-ylphenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [5-hydroxy-2-isopropyl-4-[3-(4-methoxy-3-pyrrolidino-phenyl)-2-thioxo-4-imidazolin-4-yl]phenyl] ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C(=C1)C2=CNC(=S)N2C3=CC(=C(C=C3)OC)N4CCCC4)O)OC(=O)C(C)C

Isomeric SMILES

CC(C)C1=C(C=C(C(=C1)C2=CNC(=S)N2C3=CC(=C(C=C3)OC)N4CCCC4)O)OC(=O)C(C)C

InChI

InChI=1S/C27H33N3O4S/c1-16(2)19-13-20(23(31)14-25(19)34-26(32)17(3)4)22-15-28-27(35)30(22)18-8-9-24(33-5)21(12-18)29-10-6-7-11-29/h8-9,12-17,31H,6-7,10-11H2,1-5H3,(H,28,35)