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

Systemtic Name: ethyl 2-[[2-(1-azanyl-3-methylsulfanyl-propyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(1-amino-3-methylsulfanyl-propyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-[1-amino-3-(methylthio)propyl]-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-[1-amino-3-(methylthio)propyl]thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid ethyl ester Formula: C20H27N3O3S3 MolecularWeight: 453.64168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S3/c1-3-26-20(25)17(12-28-11-14-7-5-4-6-8-14)22-18(24)16-13-29-19(23-16)15(21)9-10-27-2/h4-8,13,15,17H,3,9-12,21H2,1-2H3,(H,22,24)