4-[(5S)-5-[4-(methylaminomethyl)phenyl]pyrrolidin-3-yl]sulfanyl-1-thiophen-2-ylcarbonyl-2,3-dihydropyrrole-5-carboxylic acid

Systemtic Name: 4-[(5S)-5-[4-(methylaminomethyl)phenyl]pyrrolidin-3-yl]sulfanyl-1-thiophen-2-ylcarbonyl-2,3-dihydropyrrole-5-carboxylic acid Openeye Name: 4-[(5S)-5-[4-(methylaminomethyl)phenyl]pyrrolidin-3-yl]sulfanyl-1-(thiophene-2-carbonyl)-2,3-dihydropyrrole-5-carboxylic acid CAS Name: 4-[[(5S)-5-[4-(methylaminomethyl)phenyl]-3-pyrrolidinyl]thio]-1-[oxo(thiophen-2-yl)methyl]-2,3-dihydropyrrole-5-carboxylic acid IUPAC Name: 4-[(5S)-5-[4-(methylaminomethyl)phenyl]pyrrolidin-3-yl]sulfanyl-1-(thiophene-2-carbonyl)-2,3-dihydropyrrole-5-carboxylic acid Traditional Name: 3-[[(5S)-5-[4-(methylaminomethyl)phenyl]pyrrolidin-3-yl]thio]-1-(2-thenoyl)-2-pyrroline-2-carboxylic acid Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(C=C1)C2CC(CN2)SC3=C(N(CC3)C(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

CNCC1=CC=C(C=C1)[C@@H]2CC(CN2)SC3=C(N(CC3)C(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C22H25N3O3S2/c1-23-12-14-4-6-15(7-5-14)17-11-16(13-24-17)30-18-8-9-25(20(18)22(27)28)21(26)19-3-2-10-29-19/h2-7,10,16-17,23-24H,8-9,11-13H2,1H3,(H,27,28)/t16?,17-/m0/s1