ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCC(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C14H18N2O4S/c1-2-20-14(19)10-3-5-11(6-4-10)16-13(18)7-8-21-9-12(15)17/h3-6H,2,7-9H2,1H3,(H2,15,17)(H,16,18)