(phenylmethyl) N-[3-chloranyl-1-oxidanylidene-1-[(2-sulfanylpyrrol-1-yl)amino]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-chloranyl-1-oxidanylidene-1-[(2-sulfanylpyrrol-1-yl)amino]propan-2-yl]carbamate Openeye Name: benzyl N-[1-(chloromethyl)-2-oxo-2-[(2-sulfanylpyrrol-1-yl)amino]ethyl]carbamate CAS Name: N-[3-chloro-1-[(2-mercapto-1-pyrrolyl)amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-chloro-1-oxo-1-[(2-sulfanylpyrrol-1-yl)amino]propan-2-yl]carbamate Traditional Name: N-[1-(chloromethyl)-2-keto-2-[(2-mercaptopyrrol-1-yl)amino]ethyl]carbamic acid benzyl ester Formula: C15H16ClN3O3S MolecularWeight: 353.82384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCl)C(=O)NN2C=CC=C2S

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCl)C(=O)NN2C=CC=C2S

InChI

InChI=1S/C15H16ClN3O3S/c16-9-12(14(20)18-19-8-4-7-13(19)23)17-15(21)22-10-11-5-2-1-3-6-11/h1-8,12,23H,9-10H2,(H,17,21)(H,18,20)