methyl 4-(3-cyanophenyl)-1-[2-(2-cyanophenyl)sulfanylphenyl]carbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 4-(3-cyanophenyl)-1-[2-(2-cyanophenyl)sulfanylphenyl]carbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 4-(3-cyanophenyl)-1-[2-(2-cyanophenyl)sulfanylbenzoyl]pyrrolidine-3-carboxylate CAS Name: 4-(3-cyanophenyl)-1-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-cyanophenyl)-1-[2-(2-cyanophenyl)sulfanylbenzoyl]pyrrolidine-3-carboxylate Traditional Name: 4-(3-cyanophenyl)-1-[2-[(2-cyanophenyl)thio]benzoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC1C2=CC=CC(=C2)C#N)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

COC(=O)C1CN(CC1C2=CC=CC(=C2)C#N)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C27H21N3O3S/c1-33-27(32)23-17-30(16-22(23)19-9-6-7-18(13-19)14-28)26(31)21-10-3-5-12-25(21)34-24-11-4-2-8-20(24)15-29/h2-13,22-23H,16-17H2,1H3