2-[ethyl-[(4-propan-2-ylphenyl)methyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[ethyl-[(4-propan-2-ylphenyl)methyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[ethyl-[(4-isopropylphenyl)methyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[ethyl-[(4-propan-2-ylphenyl)methyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[ethyl-[(4-propan-2-ylphenyl)methyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[ethyl-(4-isopropylbenzyl)amino]-3-mercapto-propionic acid Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C(C)C)C(CS)C(=O)O

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C(C)C)C(CS)C(=O)O

InChI

InChI=1S/C15H23NO2S/c1-4-16(14(10-19)15(17)18)9-12-5-7-13(8-6-12)11(2)3/h5-8,11,14,19H,4,9-10H2,1-3H3,(H,17,18)