ethyl 6-bromanyl-1-cyclopropyl-2-[(2-methylfuran-3-yl)sulfinylmethyl]-4-(morpholin-4-ylmethyl)-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-2-[(2-methylfuran-3-yl)sulfinylmethyl]-4-(morpholin-4-ylmethyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-[(2-methyl-3-furyl)sulfinylmethyl]-4-(morpholinomethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[(2-methyl-3-furanyl)sulfinylmethyl]-4-(4-morpholinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-[(2-methylfuran-3-yl)sulfinylmethyl]-4-(morpholin-4-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[(2-methyl-3-furyl)sulfinylmethyl]-4-(morpholinomethyl)indole-3-carboxylic acid ethyl ester Formula: C25H29BrN2O6S MolecularWeight: 565.47656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCOCC3)O)Br)C4CC4)CS(=O)C5=C(OC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCOCC3)O)Br)C4CC4)CS(=O)C5=C(OC=C5)C

InChI

InChI=1S/C25H29BrN2O6S/c1-3-33-25(30)23-20(14-35(31)21-6-9-34-15(21)2)28(16-4-5-16)19-12-18(26)24(29)17(22(19)23)13-27-7-10-32-11-8-27/h6,9,12,16,29H,3-5,7-8,10-11,13-14H2,1-2H3