2-(3-methylphenoxy)ethyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: 2-(3-methylphenoxy)ethyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: 2-(3-methylphenoxy)ethyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid 2-(3-methylphenoxy)ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

InChI

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