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

Systemtic Name: ethyl 2-[[2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-thiazol-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: ethyl 2-[[2-(1-amino-3-methylsulfanyl-propyl)thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[2-[1-amino-3-(methylthio)propyl]-4-thiazolyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-[1-amino-3-(methylthio)propyl]thiazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid ethyl ester Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C(CCSC)N

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CSC(=N3)C(CCSC)N

InChI

InChI=1S/C21H26N4O3S2/c1-3-28-21(27)17(10-13-11-23-16-7-5-4-6-14(13)16)24-19(26)18-12-30-20(25-18)15(22)8-9-29-2/h4-7,11-12,15,17,23H,3,8-10,22H2,1-2H3,(H,24,26)