ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(4-methylthiazol-2-yl)sulfanylmethyl]indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[[(4-methyl-2-thiazolyl)thio]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]indole-3-carboxylate Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[[(4-methylthiazol-2-yl)thio]methyl]indole-3-carboxylic acid ethyl ester Formula: C20H24BrN3O3S2 MolecularWeight: 498.45686

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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)C)CSC3=NC(=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=NC(=CS3)C

InChI

InChI=1S/C20H24BrN3O3S2/c1-6-27-19(26)17-15(10-29-20-22-11(2)9-28-20)24(5)14-7-13(21)18(25)12(16(14)17)8-23(3)4/h7,9,25H,6,8,10H2,1-5H3