methyl 3-azanyl-4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-benzoate

Systemtic Name: methyl 3-azanyl-4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-benzoate Openeye Name: methyl 3-amino-4-(3-methoxy-3-oxo-propyl)sulfanyl-benzoate CAS Name: 3-amino-4-[(3-methoxy-3-oxopropyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(3-methoxy-3-oxopropyl)sulfanylbenzoate Traditional Name: 3-amino-4-[(3-keto-3-methoxy-propyl)thio]benzoic acid methyl ester Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)C(=O)OC)N

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)C(=O)OC)N

InChI

InChI=1S/C12H15NO4S/c1-16-11(14)5-6-18-10-4-3-8(7-9(10)13)12(15)17-2/h3-4,7H,5-6,13H2,1-2H3