methyl (2S)-3-(1H-indol-3-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)carbonylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2-thienyl)thiazole-4-carbonyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo-(2-thiophen-2-yl-4-thiazolyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(2-thienyl)thiazole-4-carbonyl]amino]propionic acid methyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C20H17N3O3S2/c1-26-20(25)15(9-12-10-21-14-6-3-2-5-13(12)14)22-18(24)16-11-28-19(23-16)17-7-4-8-27-17/h2-8,10-11,15,21H,9H2,1H3,(H,22,24)/t15-/m0/s1