methyl 4-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethyl]-3-chloranyl-benzoate

Systemtic Name: methyl 4-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethyl]-3-chloranyl-benzoate Openeye Name: methyl 4-[2-[(2-amino-3-sulfanyl-propanoyl)amino]ethyl]-3-chloro-benzoate CAS Name: 4-[2-[(2-amino-3-mercapto-1-oxopropyl)amino]ethyl]-3-chlorobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-amino-3-sulfanylpropanoyl)amino]ethyl]-3-chlorobenzoate Traditional Name: 4-[2-[(2-amino-3-mercapto-propanoyl)amino]ethyl]-3-chloro-benzoic acid methyl ester Formula: C13H17ClN2O3S MolecularWeight: 316.80368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CCNC(=O)C(CS)N)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CCNC(=O)C(CS)N)Cl

InChI

InChI=1S/C13H17ClN2O3S/c1-19-13(18)9-3-2-8(10(14)6-9)4-5-16-12(17)11(15)7-20/h2-3,6,11,20H,4-5,7,15H2,1H3,(H,16,17)