methyl 2-[(4-azanyl-2-naphthalen-1-yl-phenyl)carbonylamino]-3-methylsulfanyl-propanoate

Systemtic Name: methyl 2-[(4-azanyl-2-naphthalen-1-yl-phenyl)carbonylamino]-3-methylsulfanyl-propanoate Openeye Name: methyl 2-[[4-amino-2-(1-naphthyl)benzoyl]amino]-3-methylsulfanyl-propanoate CAS Name: 2-[[[4-amino-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-3-(methylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-3-methylsulfanylpropanoate Traditional Name: 2-[[4-amino-2-(1-naphthyl)benzoyl]amino]-3-(methylthio)propionic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC)NC(=O)C1=C(C=C(C=C1)N)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C(CSC)NC(=O)C1=C(C=C(C=C1)N)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H22N2O3S/c1-27-22(26)20(13-28-2)24-21(25)18-11-10-15(23)12-19(18)17-9-5-7-14-6-3-4-8-16(14)17/h3-12,20H,13,23H2,1-2H3,(H,24,25)