ethyl 2-[[2-(1-azanylbutyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: ethyl 2-[[2-(1-azanylbutyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: ethyl 2-[[2-(1-aminobutyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-(1-aminobutyl)-4-thiazolyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-aminobutyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1-aminobutyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC(=CS1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC)N

Isomeric SMILES

CCCC(C1=NC(=CS1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC)N

InChI

InChI=1S/C21H26N4O3S/c1-3-7-15(22)20-25-18(12-29-20)19(26)24-17(21(27)28-4-2)10-13-11-23-16-9-6-5-8-14(13)16/h5-6,8-9,11-12,15,17,23H,3-4,7,10,22H2,1-2H3,(H,24,26)