methyl (2R)-3-(1H-indol-3-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C21H22N2O3S/c1-26-21(25)17(10-14-12-22-16-8-4-3-7-15(14)16)23-20(24)19-11-13-6-2-5-9-18(13)27-19/h3-4,7-8,11-12,17,22H,2,5-6,9-10H2,1H3,(H,23,24)/t17-/m1/s1