2-[4-(2-acetamido-3-methoxy-3-oxidanylidene-propyl)-2-(1,3-dithiolan-2-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(2-acetamido-3-methoxy-3-oxidanylidene-propyl)-2-(1,3-dithiolan-2-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(2-acetamido-3-methoxy-3-oxo-propyl)-2-(1,3-dithiolan-2-yl)phenyl]acetic acid CAS Name: 2-[4-(2-acetamido-3-methoxy-3-oxopropyl)-2-(1,3-dithiolan-2-yl)phenyl]acetic acid IUPAC Name: 2-[4-(2-acetamido-3-methoxy-3-oxopropyl)-2-(1,3-dithiolan-2-yl)phenyl]acetic acid Traditional Name: 2-[4-(2-acetamido-3-keto-3-methoxy-propyl)-2-(1,3-dithiolan-2-yl)phenyl]acetic acid Formula: C17H21NO5S2 MolecularWeight: 383.48234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)CC(=O)O)C2SCCS2)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C=C1)CC(=O)O)C2SCCS2)C(=O)OC

InChI

InChI=1S/C17H21NO5S2/c1-10(19)18-14(16(22)23-2)8-11-3-4-12(9-15(20)21)13(7-11)17-24-5-6-25-17/h3-4,7,14,17H,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21)