3-cyanopropyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 3-cyanopropyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 3-cyanopropyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid 3-cyanopropyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCCCC#N

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCCCC#N

InChI

InChI=1S/C16H20N2O4S/c1-21-11-9-18-15(19)12-23-14-7-3-2-6-13(14)16(20)22-10-5-4-8-17/h2-3,6-7H,4-5,9-12H2,1H3,(H,18,19)