3-[(4-dimethylaminophenyl)methylamino]-4-propyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-dimethylaminophenyl)methylamino]-4-propyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-dimethylaminophenyl)methylamino]-4-propyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-dimethylaminophenyl)methylamino]-4-propyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-dimethylaminophenyl)methylamino]-4-propylthiophene-2-carboxylic acid Traditional Name: 3-[[4-(dimethylamino)benzyl]amino]-4-propyl-2-thenoic acid Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CSC(=C1NCC2=CC=C(C=C2)N(C)C)C(=O)O

Isomeric SMILES

CCCC1=CSC(=C1NCC2=CC=C(C=C2)N(C)C)C(=O)O

InChI

InChI=1S/C17H22N2O2S/c1-4-5-13-11-22-16(17(20)21)15(13)18-10-12-6-8-14(9-7-12)19(2)3/h6-9,11,18H,4-5,10H2,1-3H3,(H,20,21)