methyl 2-(2-methylphenyl)-2-[2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethylamino]ethanoate

Systemtic Name: methyl 2-(2-methylphenyl)-2-[2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethylamino]ethanoate Openeye Name: methyl 2-(o-tolyl)-2-[2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethylamino]acetate CAS Name: 2-[2-(5-mercapto-1-cyclopenta-1,3-dienyl)ethylamino]-2-(2-methylphenyl)acetic acid methyl ester IUPAC Name: methyl 2-(2-methylphenyl)-2-[2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethylamino]acetate Traditional Name: 2-[2-(5-mercaptocyclopenta-1,3-dien-1-yl)ethylamino]-2-(o-tolyl)acetic acid methyl ester Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)OC)NCCC2=CC=CC2S

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)OC)NCCC2=CC=CC2S

InChI

InChI=1S/C17H21NO2S/c1-12-6-3-4-8-14(12)16(17(19)20-2)18-11-10-13-7-5-9-15(13)21/h3-9,15-16,18,21H,10-11H2,1-2H3