ethyl 2-[(4-aminocarbonyl-2-azanyl-phenyl)methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4-aminocarbonyl-2-azanyl-phenyl)methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(2-amino-4-carbamoyl-phenyl)methylsulfanyl]acetate CAS Name: 2-[(2-amino-4-carbamoylphenyl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-amino-4-carbamoylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(2-amino-4-carbamoyl-benzyl)thio]acetic acid ethyl ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=C(C=C(C=C1)C(=O)N)N

Isomeric SMILES

CCOC(=O)CSCC1=C(C=C(C=C1)C(=O)N)N

InChI

InChI=1S/C12H16N2O3S/c1-2-17-11(15)7-18-6-9-4-3-8(12(14)16)5-10(9)13/h3-5H,2,6-7,13H2,1H3,(H2,14,16)