(2S)-2-[(5-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(5-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(5-fluorobenzothiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(5-fluorobenzothiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C20H15FN2O3S MolecularWeight: 382.408103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C20H15FN2O3S/c21-13-5-6-17-11(7-13)9-18(27-17)19(24)23-16(20(25)26)8-12-10-22-15-4-2-1-3-14(12)15/h1-7,9-10,16,22H,8H2,(H,23,24)(H,25,26)/t16-/m0/s1