methyl 2-(3-azanyl-5-methoxy-5-oxidanylidene-pentyl)sulfanylbenzoate

Systemtic Name: methyl 2-(3-azanyl-5-methoxy-5-oxidanylidene-pentyl)sulfanylbenzoate Openeye Name: methyl 2-(3-amino-5-methoxy-5-oxo-pentyl)sulfanylbenzoate CAS Name: 2-[(3-amino-5-methoxy-5-oxopentyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(3-amino-5-methoxy-5-oxopentyl)sulfanylbenzoate Traditional Name: 2-[(3-amino-5-keto-5-methoxy-pentyl)thio]benzoic acid methyl ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCSC1=CC=CC=C1C(=O)OC)N

Isomeric SMILES

COC(=O)CC(CCSC1=CC=CC=C1C(=O)OC)N

InChI

InChI=1S/C14H19NO4S/c1-18-13(16)9-10(15)7-8-20-12-6-4-3-5-11(12)14(17)19-2/h3-6,10H,7-9,15H2,1-2H3