ethyl N-[2-acetamido-5-(phenylsulfinyl)phenyl]-N-[(E)-N'-ethoxycarbonylcarbamimidoyl]carbamate

Systemtic Name: ethyl N-[2-acetamido-5-(phenylsulfinyl)phenyl]-N-[(E)-N'-ethoxycarbonylcarbamimidoyl]carbamate Openeye Name: ethyl N-[2-acetamido-5-(benzenesulfinyl)phenyl]-N-[(E)-N'-ethoxycarbonylcarbamimidoyl]carbamate CAS Name: N-[2-acetamido-5-(benzenesulfinyl)phenyl]-N-[(E)-amino(ethoxycarbonylimino)methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-acetamido-5-(benzenesulfinyl)phenyl]-N-[(E)-N'-ethoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[2-acetamido-5-(benzenesulfinyl)phenyl]-N-[(E)-N'-carbethoxyamidino]carbamic acid ethyl ester Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C(N)N(C1=C(C=CC(=C1)S(=O)C2=CC=CC=C2)NC(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)/N=C(\N)/N(C1=C(C=CC(=C1)S(=O)C2=CC=CC=C2)NC(=O)C)C(=O)OCC

InChI

InChI=1S/C21H24N4O6S/c1-4-30-20(27)24-19(22)25(21(28)31-5-2)18-13-16(11-12-17(18)23-14(3)26)32(29)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H,23,26)(H2,22,24,27)