(2R)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)-N-propan-2-yl-propanamide

Systemtic Name: (2R)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)-N-propan-2-yl-propanamide Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-N-isopropyl-propanamide CAS Name: (2R)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(phenylmethylthio)-N-propan-2-ylpropanamide IUPAC Name: (2R)-3-benzylsulfanyl-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-propan-2-ylpropanamide Traditional Name: (2R)-3-(benzylthio)-2-[[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxyacetyl]amino]-N-isopropyl-propionamide Formula: C29H36N2O5S MolecularWeight: 524.67154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)NC(C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)NC(C)C

InChI

InChI=1S/C29H36N2O5S/c1-5-6-12-22-15-27(33)36-28-20(4)25(14-13-23(22)28)35-16-26(32)31-24(29(34)30-19(2)3)18-37-17-21-10-8-7-9-11-21/h7-11,13-15,19,24H,5-6,12,16-18H2,1-4H3,(H,30,34)(H,31,32)/t24-/m0/s1