ethyl 2-[(3,4-dimethylphenyl)methylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-[(3,4-dimethylphenyl)methylamino]-3-sulfanyl-propanoate Openeye Name: ethyl 2-[(3,4-dimethylphenyl)methylamino]-3-sulfanyl-propanoate CAS Name: 2-[(3,4-dimethylphenyl)methylamino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dimethylphenyl)methylamino]-3-sulfanylpropanoate Traditional Name: 2-[(3,4-dimethylbenzyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NCC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCOC(=O)C(CS)NCC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C14H21NO2S/c1-4-17-14(16)13(9-18)15-8-12-6-5-10(2)11(3)7-12/h5-7,13,15,18H,4,8-9H2,1-3H3