(E)-5-[3-(dimethylamino)phenyl]-2-(1,3-dithiolan-2-ylidene)-3-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-5-[3-(dimethylamino)phenyl]-2-(1,3-dithiolan-2-ylidene)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-5-[3-(dimethylamino)phenyl]-2-(1,3-dithiolan-2-ylidene)-3-oxo-pent-4-enoic acid CAS Name: (E)-5-[3-(dimethylamino)phenyl]-2-(1,3-dithiolan-2-ylidene)-3-oxo-4-pentenoic acid IUPAC Name: (E)-5-[3-(dimethylamino)phenyl]-2-(1,3-dithiolan-2-ylidene)-3-oxopent-4-enoic acid Traditional Name: (E)-5-[3-(dimethylamino)phenyl]-2-(1,3-dithiolan-2-ylidene)-3-keto-pent-4-enoic acid Formula: C16H17NO3S2 MolecularWeight: 335.44108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C=CC(=O)C(=C2SCCS2)C(=O)O

Isomeric SMILES

CN(C)C1=CC=CC(=C1)/C=C/C(=O)C(=C2SCCS2)C(=O)O

InChI

InChI=1S/C16H17NO3S2/c1-17(2)12-5-3-4-11(10-12)6-7-13(18)14(15(19)20)16-21-8-9-22-16/h3-7,10H,8-9H2,1-2H3,(H,19,20)/b7-6+