[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=CC=CC=C2C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=CC=CC=C2C

InChI

InChI=1S/C21H25NO3S/c1-3-4-8-17-10-12-18(13-11-17)22-20(23)14-25-21(24)15-26-19-9-6-5-7-16(19)2/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,22,23)