[4-acetyloxy-2-[cyano(1,3-dithian-2-ylidene)methyl]-3-pyrrolidin-1-yl-naphthalen-1-yl] ethanoate

Systemtic Name: [4-acetyloxy-2-[cyano(1,3-dithian-2-ylidene)methyl]-3-pyrrolidin-1-yl-naphthalen-1-yl] ethanoate Openeye Name: [4-acetoxy-2-[cyano(1,3-dithian-2-ylidene)methyl]-3-pyrrolidin-1-yl-1-naphthyl] acetate CAS Name: acetic acid [4-acetyloxy-2-[cyano(1,3-dithian-2-ylidene)methyl]-3-(1-pyrrolidinyl)-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-2-[cyano(1,3-dithian-2-ylidene)methyl]-3-pyrrolidin-1-ylnaphthalen-1-yl] acetate Traditional Name: acetic acid [4-acetoxy-2-[cyano(1,3-dithian-2-ylidene)methyl]-3-pyrrolidino-1-naphthyl] ester Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C2=CC=CC=C21)OC(=O)C)N3CCCC3)C(=C4SCCCS4)C#N

Isomeric SMILES

CC(=O)OC1=C(C(=C(C2=CC=CC=C21)OC(=O)C)N3CCCC3)C(=C4SCCCS4)C#N

InChI

InChI=1S/C24H24N2O4S2/c1-15(27)29-22-17-8-3-4-9-18(17)23(30-16(2)28)21(26-10-5-6-11-26)20(22)19(14-25)24-31-12-7-13-32-24/h3-4,8-9H,5-7,10-13H2,1-2H3