5-[3-[[4-(1,3-thiazol-2-yl)phenyl]methylamino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[[4-(1,3-thiazol-2-yl)phenyl]methylamino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(4-thiazol-2-ylphenyl)methylamino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[[4-(2-thiazolyl)phenyl]methylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[[4-(1,3-thiazol-2-yl)phenyl]methylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[(4-thiazol-2-ylbenzyl)amino]propyl]-2-thenoic acid Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCCC2=CC=C(S2)C(=O)O)C3=NC=CS3

Isomeric SMILES

C1=CC(=CC=C1CNCCCC2=CC=C(S2)C(=O)O)C3=NC=CS3

InChI

InChI=1S/C18H18N2O2S2/c21-18(22)16-8-7-15(24-16)2-1-9-19-12-13-3-5-14(6-4-13)17-20-10-11-23-17/h3-8,10-11,19H,1-2,9,12H2,(H,21,22)