methyl (2R)-3-(1H-indol-3-yl)-2-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: (2R)-2-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H20N2O4S/c1-26-20(25)16(11-13-12-21-15-6-3-2-5-14(13)15)22-19(24)9-8-17(23)18-7-4-10-27-18/h2-7,10,12,16,21H,8-9,11H2,1H3,(H,22,24)/t16-/m1/s1