2-[2-[(2R)-2-[(E,3S)-4-[3-(2,4-dimethylphenyl)phenyl]-3-oxidanyl-but-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[2-[(2R)-2-[(E,3S)-4-[3-(2,4-dimethylphenyl)phenyl]-3-oxidanyl-but-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[2-[(2R)-2-[(E,3S)-4-[3-(2,4-dimethylphenyl)phenyl]-3-hydroxy-but-1-enyl]-5-oxo-pyrrolidin-1-yl]ethylsulfanyl]thiazole-4-carboxylic acid CAS Name: 2-[2-[(2R)-2-[(E,3S)-4-[3-(2,4-dimethylphenyl)phenyl]-3-hydroxybut-1-enyl]-5-oxo-1-pyrrolidinyl]ethylthio]-4-thiazolecarboxylic acid IUPAC Name: 2-[2-[(2R)-2-[(E,3S)-4-[3-(2,4-dimethylphenyl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[2-[(2R)-2-[(E,3S)-4-[3-(2,4-dimethylphenyl)phenyl]-3-hydroxy-but-1-enyl]-5-keto-pyrrolidino]ethylthio]thiazole-4-carboxylic acid Formula: C28H30N2O4S2 MolecularWeight: 522.6788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC(=CC=C2)CC(C=CC3CCC(=O)N3CCSC4=NC(=CS4)C(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC(=CC=C2)C[C@@H](/C=C/[C@H]3CCC(=O)N3CCSC4=NC(=CS4)C(=O)O)O)C

InChI

InChI=1S/C28H30N2O4S2/c1-18-6-10-24(19(2)14-18)21-5-3-4-20(15-21)16-23(31)9-7-22-8-11-26(32)30(22)12-13-35-28-29-25(17-36-28)27(33)34/h3-7,9-10,14-15,17,22-23,31H,8,11-13,16H2,1-2H3,(H,33,34)/b9-7+/t22-,23+/m0/s1