ethyl 6-bromanyl-1-cyclopropyl-4-(dimethylaminomethyl)-5-oxidanyl-2-(1,3-thiazol-4-ylmethylsulfinylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-4-(dimethylaminomethyl)-5-oxidanyl-2-(1,3-thiazol-4-ylmethylsulfinylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(thiazol-4-ylmethylsulfinylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(4-thiazolylmethylsulfinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(1,3-thiazol-4-ylmethylsulfinylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(thiazol-4-ylmethylsulfinylmethyl)indole-3-carboxylic acid ethyl ester Formula: C22H26BrN3O4S2 MolecularWeight: 540.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3CC3)CS(=O)CC4=CSC=N4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3CC3)CS(=O)CC4=CSC=N4

InChI

InChI=1S/C22H26BrN3O4S2/c1-4-30-22(28)20-18(11-32(29)10-13-9-31-12-24-13)26(14-5-6-14)17-7-16(23)21(27)15(19(17)20)8-25(2)3/h7,9,12,14,27H,4-6,8,10-11H2,1-3H3