methyl 3-(5-methylheptan-3-ylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-(5-methylheptan-3-ylamino)-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(1-ethyl-3-methyl-pentyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-(5-methylheptan-3-ylamino)-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-(5-methylheptan-3-ylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-[(1-ethyl-3-methyl-pentyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C16H27NO2S MolecularWeight: 297.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)NC(CC(=O)OC)C1=CC=CS1

Isomeric SMILES

CCC(C)CC(CC)NC(CC(=O)OC)C1=CC=CS1

InChI

InChI=1S/C16H27NO2S/c1-5-12(3)10-13(6-2)17-14(11-16(18)19-4)15-8-7-9-20-15/h7-9,12-14,17H,5-6,10-11H2,1-4H3