methyl 4-azanyl-3-oxidanylidene-2-[(2-oxidanylidenethiolan-3-yl)iminomethyl]-4-phenyl-butanoate

Systemtic Name: methyl 4-azanyl-3-oxidanylidene-2-[(2-oxidanylidenethiolan-3-yl)iminomethyl]-4-phenyl-butanoate Openeye Name: methyl 4-amino-3-oxo-2-[(2-oxotetrahydrothiophen-3-yl)iminomethyl]-4-phenyl-butanoate CAS Name: 4-amino-3-oxo-2-[(2-oxo-3-thiolanyl)iminomethyl]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 4-amino-3-oxo-2-[(2-oxothiolan-3-yl)iminomethyl]-4-phenylbutanoate Traditional Name: 4-amino-3-keto-2-[(2-ketotetrahydrothiophen-3-yl)iminomethyl]-4-phenyl-butyric acid methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=NC1CCSC1=O)C(=O)C(C2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C(C=NC1CCSC1=O)C(=O)C(C2=CC=CC=C2)N

InChI

InChI=1S/C16H18N2O4S/c1-22-15(20)11(9-18-12-7-8-23-16(12)21)14(19)13(17)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8,17H2,1H3