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

Systemtic Name: (2R)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(phenylmethylsulfanyl)-N-propan-2-yl-propanamide Openeye Name: (2R)-3-benzylsulfanyl-2-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-N-isopropyl-propanamide CAS Name: (2R)-2-[[2-[(4-butyl-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-2-oxochromen-7-yl)oxyacetyl]amino]-N-propan-2-ylpropanamide Traditional Name: (2R)-3-(benzylthio)-2-[[2-(4-butyl-2-keto-chromen-7-yl)oxyacetyl]amino]-N-isopropyl-propionamide Formula: C28H34N2O5S MolecularWeight: 510.64496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CSCC3=CC=CC=C3)C(=O)NC(C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)NC(C)C

InChI

InChI=1S/C28H34N2O5S/c1-4-5-11-21-14-27(32)35-25-15-22(12-13-23(21)25)34-16-26(31)30-24(28(33)29-19(2)3)18-36-17-20-9-7-6-8-10-20/h6-10,12-15,19,24H,4-5,11,16-18H2,1-3H3,(H,29,33)(H,30,31)/t24-/m0/s1