3-[(2,4-dichlorophenyl)methyl-propan-2-yl-amino]-5-(2-methylpropyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)methyl-propan-2-yl-amino]-5-(2-methylpropyl)thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorophenyl)methyl-isopropyl-amino]-5-isobutyl-thiophene-2-carboxylic acid CAS Name: 3-[(2,4-dichlorophenyl)methyl-propan-2-ylamino]-5-(2-methylpropyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorophenyl)methyl-propan-2-ylamino]-5-(2-methylpropyl)thiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzyl)-isopropyl-amino]-5-isobutyl-2-thenoic acid Formula: C19H23Cl2NO2S MolecularWeight: 400.36242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(S1)C(=O)O)N(CC2=C(C=C(C=C2)Cl)Cl)C(C)C

Isomeric SMILES

CC(C)CC1=CC(=C(S1)C(=O)O)N(CC2=C(C=C(C=C2)Cl)Cl)C(C)C

InChI

InChI=1S/C19H23Cl2NO2S/c1-11(2)7-15-9-17(18(25-15)19(23)24)22(12(3)4)10-13-5-6-14(20)8-16(13)21/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,23,24)