(2E)-1-cyclopropyl-2-(dimethylaminomethylidene)-3-[4-ethylsulfanyl-2-(phenylmethyl)phenyl]propane-1,3-dione

Systemtic Name: (2E)-1-cyclopropyl-2-(dimethylaminomethylidene)-3-[4-ethylsulfanyl-2-(phenylmethyl)phenyl]propane-1,3-dione Openeye Name: (2E)-1-(2-benzyl-4-ethylsulfanyl-phenyl)-3-cyclopropyl-2-(dimethylaminomethylene)propane-1,3-dione CAS Name: (2E)-1-cyclopropyl-2-(dimethylaminomethylidene)-3-[4-(ethylthio)-2-(phenylmethyl)phenyl]propane-1,3-dione IUPAC Name: (2E)-1-(2-benzyl-4-ethylsulfanylphenyl)-3-cyclopropyl-2-(dimethylaminomethylidene)propane-1,3-dione Traditional Name: (2E)-1-[2-benzyl-4-(ethylthio)phenyl]-3-cyclopropyl-2-(dimethylaminomethylene)propane-1,3-dione Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C=C1)C(=O)C(=CN(C)C)C(=O)C2CC2)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=CC(=C(C=C1)C(=O)/C(=C/N(C)C)/C(=O)C2CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H27NO2S/c1-4-28-20-12-13-21(19(15-20)14-17-8-6-5-7-9-17)24(27)22(16-25(2)3)23(26)18-10-11-18/h5-9,12-13,15-16,18H,4,10-11,14H2,1-3H3/b22-16+