[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCC2=CC(=CC=C2)OC

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCC2=CC(=CC=C2)OC

InChI

InChI=1S/C20H21NO5S/c1-14(22)13-27-18-9-4-3-8-17(18)20(24)26-12-19(23)21-11-15-6-5-7-16(10-15)25-2/h3-10H,11-13H2,1-2H3,(H,21,23)