methyl (2R)-2-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H16ClFN2O3S MolecularWeight: 430.879743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H16ClFN2O3S/c1-28-21(27)16(8-11-10-24-15-5-3-2-4-13(11)15)25-20(26)19-18(22)14-7-6-12(23)9-17(14)29-19/h2-7,9-10,16,24H,8H2,1H3,(H,25,26)/t16-/m1/s1