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

Systemtic Name: ethyl 2-[[2-(1-azanylethyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(1-aminoethyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-aminoethyl)-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-aminoethyl)thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid ethyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(C)N

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(C)N

InChI

InChI=1S/C18H23N3O3S2/c1-3-24-18(23)15(10-25-9-13-7-5-4-6-8-13)20-16(22)14-11-26-17(21-14)12(2)19/h4-8,11-12,15H,3,9-10,19H2,1-2H3,(H,20,22)