methyl (2R)-3-(1H-indol-3-yl)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(5-nitrobenzothiophene-2-carbonyl)amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(5-nitrobenzothiophene-2-carbonyl)amino]propionic acid methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c1-29-21(26)17(9-13-11-22-16-5-3-2-4-15(13)16)23-20(25)19-10-12-8-14(24(27)28)6-7-18(12)30-19/h2-8,10-11,17,22H,9H2,1H3,(H,23,25)/t17-/m1/s1