2-[5-(1H-inden-2-yl)pentanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid

Systemtic Name: 2-[5-(1H-inden-2-yl)pentanoyl]-1-pyrrolidin-2-ylcarbonyl-3-sulfanylidene-pyrrolidine-2-carbothioic S-acid Openeye Name: 2-[5-(1H-inden-2-yl)pentanoyl]-1-(pyrrolidine-2-carbonyl)-3-thioxo-pyrrolidine-2-carbothioic S-acid CAS Name: 2-[5-(1H-inden-2-yl)-1-oxopentyl]-1-[oxo(2-pyrrolidinyl)methyl]-3-sulfanylidene-2-pyrrolidinecarbothioic S-acid IUPAC Name: 2-[5-(1H-inden-2-yl)pentanoyl]-1-(pyrrolidine-2-carbonyl)-3-sulfanylidenepyrrolidine-2-carbothioic S-acid Traditional Name: 2-[5-(1H-inden-2-yl)pentanoyl]-1-prolyl-3-thioxo-pyrrolidine-2-carbothioic S-acid Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCCC3=CC4=CC=CC=C4C3)C(=O)S

Isomeric SMILES

C1CC(NC1)C(=O)N2CCC(=S)C2(C(=O)CCCCC3=CC4=CC=CC=C4C3)C(=O)S

InChI

InChI=1S/C24H28N2O3S2/c27-20(10-4-1-6-16-14-17-7-2-3-8-18(17)15-16)24(23(29)31)21(30)11-13-26(24)22(28)19-9-5-12-25-19/h2-3,7-8,14,19,25H,1,4-6,9-13,15H2,(H,29,31)