[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 1,4-dithiane-2-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 1,4-dithiane-2-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 1,4-dithiane-2-carboxylate CAS Name: 1,4-dithiane-2-carboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 1,4-dithiane-2-carboxylate Traditional Name: 1,4-dithiane-2-carboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2CSCCS2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2CSCCS2

InChI

InChI=1S/C14H17NO3S2/c1-10-2-4-11(5-3-10)15-13(16)8-18-14(17)12-9-19-6-7-20-12/h2-5,12H,6-9H2,1H3,(H,15,16)