2-(4-methoxyphenyl)ethyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: 2-(4-methoxyphenyl)ethyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: 2-(4-methoxyphenyl)ethyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid 2-(4-methoxyphenyl)ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25NO4S/c1-15(2)22-20(23)14-27-19-7-5-4-6-18(19)21(24)26-13-12-16-8-10-17(25-3)11-9-16/h4-11,15H,12-14H2,1-3H3,(H,22,23)