methyl 2-[(4-propan-2-ylphenyl)methylamino]-3-sulfanyl-propanoate

Systemtic Name: methyl 2-[(4-propan-2-ylphenyl)methylamino]-3-sulfanyl-propanoate Openeye Name: methyl 2-[(4-isopropylphenyl)methylamino]-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-propan-2-ylphenyl)methylamino]-3-sulfanylpropanoate Traditional Name: 2-[(4-isopropylbenzyl)amino]-3-mercapto-propionic acid methyl ester Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC(CS)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC(CS)C(=O)OC

InChI

InChI=1S/C14H21NO2S/c1-10(2)12-6-4-11(5-7-12)8-15-13(9-18)14(16)17-3/h4-7,10,13,15,18H,8-9H2,1-3H3