2-acetamido-2-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propanethioic S-acid

Systemtic Name: 2-acetamido-2-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propanethioic S-acid Openeye Name: 2-acetamido-3-(5-benzyloxy-1H-indol-3-yl)-2-methyl-propanethioic S-acid CAS Name: 2-acetamido-2-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propanethioic S-acid IUPAC Name: 2-acetamido-2-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propanethioic S-acid Traditional Name: 2-acetamido-3-(5-benzoxy-1H-indol-3-yl)-2-methyl-thiopropionic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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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(=O)S

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-14(24)23-21(2,20(25)27)11-16-12-22-19-9-8-17(10-18(16)19)26-13-15-6-4-3-5-7-15/h3-10,12,22H,11,13H2,1-2H3,(H,23,24)(H,25,27)