methyl 2-[[4-azanyl-2-[(E)-3,3-dimethylbut-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-azanyl-2-[(E)-3,3-dimethylbut-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-amino-2-[(E)-3,3-dimethylbut-1-enyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-amino-2-[(E)-3,3-dimethylbut-1-enyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-amino-2-[(E)-3,3-dimethylbut-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-amino-2-[(E)-3,3-dimethylbut-1-enyl]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=CC1=C(C=CC(=C1)N)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(C)(C)/C=C/C1=C(C=CC(=C1)N)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C19H28N2O3S/c1-19(2,3)10-8-13-12-14(20)6-7-15(13)17(22)21-16(9-11-25-5)18(23)24-4/h6-8,10,12,16H,9,11,20H2,1-5H3,(H,21,22)/b10-8+