(1-azanyl-3-methoxy-3-oxidanylidene-propyl) 4-(3,5-dimethyl-4-oxidanyl-phenyl)sulfanyl-2-methylidene-3-oxidanylidene-butanoate

Systemtic Name: (1-azanyl-3-methoxy-3-oxidanylidene-propyl) 4-(3,5-dimethyl-4-oxidanyl-phenyl)sulfanyl-2-methylidene-3-oxidanylidene-butanoate Openeye Name: (1-amino-3-methoxy-3-oxo-propyl) 4-(4-hydroxy-3,5-dimethyl-phenyl)sulfanyl-2-methylene-3-oxo-butanoate CAS Name: 4-[(4-hydroxy-3,5-dimethylphenyl)thio]-2-methylene-3-oxobutanoic acid (1-amino-3-methoxy-3-oxopropyl) ester IUPAC Name: (1-amino-3-methoxy-3-oxopropyl) 4-(4-hydroxy-3,5-dimethylphenyl)sulfanyl-2-methylidene-3-oxobutanoate Traditional Name: 2-[2-[(4-hydroxy-3,5-dimethyl-phenyl)thio]acetyl]acrylic acid (1-amino-3-keto-3-methoxy-propyl) ester Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)SCC(=O)C(=C)C(=O)OC(CC(=O)OC)N

Isomeric SMILES

CC1=CC(=CC(=C1O)C)SCC(=O)C(=C)C(=O)OC(CC(=O)OC)N

InChI

InChI=1S/C17H21NO6S/c1-9-5-12(6-10(2)16(9)21)25-8-13(19)11(3)17(22)24-14(18)7-15(20)23-4/h5-6,14,21H,3,7-8,18H2,1-2,4H3