methyl (3S)-3-[2-[2-(2-oxidanylidenepyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl (3S)-3-[2-[2-(2-oxidanylidenepyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl (3S)-3-[[2-[2-(2-oxopyrrolidin-1-yl)thiazol-4-yl]acetyl]amino]-3-(2-thienyl)propanoate CAS Name: (3S)-3-[[1-oxo-2-[2-(2-oxo-1-pyrrolidinyl)-4-thiazolyl]ethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: (3S)-3-[[2-[2-(2-ketopyrrolidino)thiazol-4-yl]acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CC2=CSC(=N2)N3CCCC3=O

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CS1)NC(=O)CC2=CSC(=N2)N3CCCC3=O

InChI

InChI=1S/C17H19N3O4S2/c1-24-16(23)9-12(13-4-3-7-25-13)19-14(21)8-11-10-26-17(18-11)20-6-2-5-15(20)22/h3-4,7,10,12H,2,5-6,8-9H2,1H3,(H,19,21)/t12-/m0/s1