2-diethylaminoethyl 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoate

Systemtic Name: 2-diethylaminoethyl 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoate Openeye Name: 2-diethylaminoethyl 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetate CAS Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetate Traditional Name: 2-[(3E)-6-cyano-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid 2-diethylaminoethyl ester Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)CC1=C(C(=CC2=CC=C(C=C2)S(=O)C)C3=C1C=C(C=C3)C#N)C

Isomeric SMILES

CCN(CC)CCOC(=O)CC1=C(/C(=C\C2=CC=C(C=C2)S(=O)C)/C3=C1C=C(C=C3)C#N)C

InChI

InChI=1S/C27H30N2O3S/c1-5-29(6-2)13-14-32-27(30)17-25-19(3)24(23-12-9-21(18-28)16-26(23)25)15-20-7-10-22(11-8-20)33(4)31/h7-12,15-16H,5-6,13-14,17H2,1-4H3/b24-15+