octyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate hydrochloride

Systemtic Name: octyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate hydrochloride Openeye Name: octyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate hydrochloride CAS Name: 4-methyl-3-[[1-oxo-2-(propylamino)propyl]amino]-2-thiophenecarboxylic acid octyl ester hydrochloride IUPAC Name: octyl 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylate hydrochloride Traditional Name: 4-methyl-3-[2-(propylamino)propanoylamino]thiophene-2-carboxylic acid octyl ester hydrochloride Formula: C20H35ClN2O3S MolecularWeight: 419.0215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C(=CS1)C)NC(=O)C(C)NCCC.Cl

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C(=CS1)C)NC(=O)C(C)NCCC.Cl

InChI

InChI=1S/C20H34N2O3S.ClH/c1-5-7-8-9-10-11-13-25-20(24)18-17(15(3)14-26-18)22-19(23)16(4)21-12-6-2;/h14,16,21H,5-13H2,1-4H3,(H,22,23);1H