1-[4-sulfanylidene-3-(2,3,4,9-tetrahydro-1H-benzo[7]annulen-3-ylcarbonyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carbaldehyde

Systemtic Name: 1-[4-sulfanylidene-3-(2,3,4,9-tetrahydro-1H-benzo[7]annulen-3-ylcarbonyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carbaldehyde Openeye Name: 1-[3-(2,3,4,9-tetrahydro-1H-benzo[7]annulene-3-carbonyl)-4-thioxo-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde CAS Name: 1-[oxo-[3-[oxo(2,3,4,9-tetrahydro-1H-benzo[7]annulen-3-yl)methyl]-4-sulfanylidene-2-pyrrolidinyl]methyl]-2-pyrrolidinecarboxaldehyde IUPAC Name: 1-[4-sulfanylidene-3-(2,3,4,9-tetrahydro-1H-benzo[7]annulene-3-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde Traditional Name: 1-[3-(2,3,4,9-tetrahydro-1H-benzocycloheptene-3-carbonyl)-4-thioxo-prolyl]pyrrolidine-2-carbaldehyde Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2C(C(=S)CN2)C(=O)C3CCC4=C(C3)C=CC=CC4)C=O

Isomeric SMILES

C1CC(N(C1)C(=O)C2C(C(=S)CN2)C(=O)C3CCC4=C(C3)C=CC=CC4)C=O

InChI

InChI=1S/C22H26N2O3S/c25-13-17-7-4-10-24(17)22(27)20-19(18(28)12-23-20)21(26)16-9-8-14-5-2-1-3-6-15(14)11-16/h1-3,6,13,16-17,19-20,23H,4-5,7-12H2