2-[2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]thio]benzoate Formula: C16H21N2O4S- MolecularWeight: 337.41394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)CSC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)CSC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C16H22N2O4S/c1-16(2,3)17-13(19)9-18(4)14(20)10-23-12-8-6-5-7-11(12)15(21)22/h5-8H,9-10H2,1-4H3,(H,17,19)(H,21,22)/p-1