(phenylmethyl) N-[(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl-propan-2-yl-amino]carbamate

Systemtic Name: (phenylmethyl) N-[(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl-propan-2-yl-amino]carbamate Openeye Name: benzyl N-[(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl-isopropyl-amino]carbamate CAS Name: N-[[6-hydroxy-4-oxo-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]methyl-propan-2-ylamino]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl-propan-2-ylamino]carbamate Traditional Name: N-[[6-hydroxy-4-keto-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]methyl-isopropyl-amino]carbamic acid benzyl ester Formula: C31H34N2O5S MolecularWeight: 546.67706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1(CC(=O)C(=C(O1)O)SCCC2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)N(CC1(CC(=O)C(=C(O1)O)SCCC2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H34N2O5S/c1-23(2)33(32-30(36)37-21-25-14-8-4-9-15-25)22-31(26-16-10-5-11-17-26)20-27(34)28(29(35)38-31)39-19-18-24-12-6-3-7-13-24/h3-17,23,35H,18-22H2,1-2H3,(H,32,36)