ethyl 1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-[(4-methylphenyl)sulfinylmethyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-[(4-methylphenyl)sulfinylmethyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-(p-tolylsulfinylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-1-methyl-4-[(2-methyl-1-imidazolyl)methyl]-2-[(4-methylphenyl)sulfinylmethyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-[(4-methylphenyl)sulfinylmethyl]indole-3-carboxylate Traditional Name: 5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-(p-tolylsulfinylmethyl)indole-3-carboxylic acid ethyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3C=CN=C3C)C)CS(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3C=CN=C3C)C)CS(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H27N3O4S/c1-5-32-25(30)24-21(15-33(31)18-8-6-16(2)7-9-18)27(4)20-10-11-22(29)19(23(20)24)14-28-13-12-26-17(28)3/h6-13,29H,5,14-15H2,1-4H3