methyl 3-(2,6-dimethylheptan-4-ylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-(2,6-dimethylheptan-4-ylamino)-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(1-isobutyl-3-methyl-butyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-(2,6-dimethylheptan-4-ylamino)-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-(2,6-dimethylheptan-4-ylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-[(1-isobutyl-3-methyl-butyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H29NO2S MolecularWeight: 311.48266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2S/c1-12(2)9-14(10-13(3)4)18-15(11-17(19)20-5)16-7-6-8-21-16/h6-8,12-15,18H,9-11H2,1-5H3