methyl 2-(ethanethioylamino)-3-[4-(1-ethanoyl-2,5-dimethyl-4-oxidanylidene-pyrrolidin-3-yl)phenyl]propanoate

Systemtic Name: methyl 2-(ethanethioylamino)-3-[4-(1-ethanoyl-2,5-dimethyl-4-oxidanylidene-pyrrolidin-3-yl)phenyl]propanoate Openeye Name: methyl 3-[4-(1-acetyl-2,5-dimethyl-4-oxo-pyrrolidin-3-yl)phenyl]-2-(ethanethioylamino)propanoate CAS Name: 3-[4-(1-acetyl-2,5-dimethyl-4-oxo-3-pyrrolidinyl)phenyl]-2-(1-sulfanylideneethylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1-acetyl-2,5-dimethyl-4-oxopyrrolidin-3-yl)phenyl]-2-(ethanethioylamino)propanoate Traditional Name: 3-[4-(1-acetyl-4-keto-2,5-dimethyl-pyrrolidin-3-yl)phenyl]-2-(thioacetylamino)propionic acid methyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C(N1C(=O)C)C)C2=CC=C(C=C2)CC(C(=O)OC)NC(=S)C

Isomeric SMILES

CC1C(C(=O)C(N1C(=O)C)C)C2=CC=C(C=C2)CC(C(=O)OC)NC(=S)C

InChI

InChI=1S/C20H26N2O4S/c1-11-18(19(24)12(2)22(11)14(4)23)16-8-6-15(7-9-16)10-17(20(25)26-5)21-13(3)27/h6-9,11-12,17-18H,10H2,1-5H3,(H,21,27)