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

Systemtic Name: methyl 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfonyl-butanoate Openeye Name: methyl 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfonyl-butanoate CAS Name: 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-isocyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfonylbutanoate Traditional Name: 2-(carbomethoxyamino)-2-(3-isocyanobenzyl)-4-mesyl-butyric acid methyl ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6S/c1-17-13-7-5-6-12(10-13)11-16(14(19)23-2,18-15(20)24-3)8-9-25(4,21)22/h5-7,10H,8-9,11H2,2-4H3,(H,18,20)