propan-2-yl 4-[[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-(4-ethylanilino)-2-oxoethyl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(4-ethylanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-(4-ethylanilino)-2-keto-ethyl]thio]methyl]benzoic acid isopropyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)OC(C)C

InChI

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