methyl (2R)-2-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[(4-fluorobenzothiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[(4-fluorobenzothiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H17FN2O3S/c1-27-21(26)17(9-12-11-23-16-7-3-2-5-13(12)16)24-20(25)19-10-14-15(22)6-4-8-18(14)28-19/h2-8,10-11,17,23H,9H2,1H3,(H,24,25)/t17-/m1/s1