2-diethylaminoethyl 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: 2-diethylaminoethyl 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: 2-diethylaminoethyl 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid 2-diethylaminoethyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)CSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)CSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-3-15(4-2)9-10-20-14(17)11-21-13-8-6-5-7-12(13)16(18)19/h5-8H,3-4,9-11H2,1-2H3