3-methyl-5-[[3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[[3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[[3-[(2S)-2-methylindolin-1-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[[[3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[[3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[[3-[(2S)-2-methylindolin-1-yl]sulfonylbenzoyl]amino]-2-thenoic acid Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC(=C(S4)C(=O)O)C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC(=C(S4)C(=O)O)C

InChI

InChI=1S/C22H20N2O5S2/c1-13-10-19(30-20(13)22(26)27)23-21(25)16-7-5-8-17(12-16)31(28,29)24-14(2)11-15-6-3-4-9-18(15)24/h3-10,12,14H,11H2,1-2H3,(H,23,25)(H,26,27)/t14-/m0/s1