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

Systemtic Name: ethyl 2-[[2-(1-azanylbutyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(1-aminobutyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-aminobutyl)-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-aminobutyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-aminobutyl)thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid ethyl ester Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC(=CS1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC)N

Isomeric SMILES

CCCC(C1=NC(=CS1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC)N

InChI

InChI=1S/C20H27N3O3S2/c1-3-8-15(21)19-23-16(13-28-19)18(24)22-17(20(25)26-4-2)12-27-11-14-9-6-5-7-10-14/h5-7,9-10,13,15,17H,3-4,8,11-12,21H2,1-2H3,(H,22,24)