methyl 3-[(2-azanyl-3-methoxy-3-oxidanylidene-propyl)sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: methyl 3-[(2-azanyl-3-methoxy-3-oxidanylidene-propyl)sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: methyl 3-[(2-amino-3-methoxy-3-oxo-propyl)sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[(2-amino-3-methoxy-3-oxopropyl)thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid methyl ester IUPAC Name: methyl 3-[(2-amino-3-methoxy-3-oxopropyl)sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[(2-amino-3-keto-3-methoxy-propyl)thio]methyl]-4-keto-4-(3-pyridyl)butyric acid methyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCC(C(=O)OC)N)C(=O)C1=CN=CC=C1

Isomeric SMILES

COC(=O)CC(CSCC(C(=O)OC)N)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C15H20N2O5S/c1-21-13(18)6-11(8-23-9-12(16)15(20)22-2)14(19)10-4-3-5-17-7-10/h3-5,7,11-12H,6,8-9,16H2,1-2H3