O-methyl 2-acetamido-2-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propanethioate

Systemtic Name: O-methyl 2-acetamido-2-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propanethioate Openeye Name: O-methyl 2-acetamido-3-(5-benzyloxy-1H-indol-3-yl)-2-methyl-propanethioate CAS Name: 2-acetamido-2-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propanethioic acid O-methyl ester IUPAC Name: O-methyl 2-acetamido-2-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propanethioate Traditional Name: 2-acetamido-3-(5-benzoxy-1H-indol-3-yl)-2-methyl-propanethioic acid O-methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=S)OC

Isomeric SMILES

CC(=O)NC(C)(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=S)OC

InChI

InChI=1S/C22H24N2O3S/c1-15(25)24-22(2,21(28)26-3)12-17-13-23-20-10-9-18(11-19(17)20)27-14-16-7-5-4-6-8-16/h4-11,13,23H,12,14H2,1-3H3,(H,24,25)