methyl 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(carbomethoxyamino)-2-(3-isocyanobenzyl)-4-(methylthio)butyric acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)(CC1=CC(=CC=C1)[N+]#[C-])NC(=O)OC

Isomeric SMILES

COC(=O)C(CCSC)(CC1=CC(=CC=C1)[N+]#[C-])NC(=O)OC

InChI

InChI=1S/C16H20N2O4S/c1-17-13-7-5-6-12(10-13)11-16(8-9-23-4,14(19)21-2)18-15(20)22-3/h5-7,10H,8-9,11H2,2-4H3,(H,18,20)