(2-oxidanylidene-4-propyl-chromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) (2R)-3-benzylsulfanyl-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) (2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-3-(benzylthio)-2-(tert-butoxycarbonylamino)propionic acid (2-keto-4-propyl-chromen-7-yl) ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CSCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](CSCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H31NO6S/c1-5-9-19-14-24(29)33-23-15-20(12-13-21(19)23)32-25(30)22(28-26(31)34-27(2,3)4)17-35-16-18-10-7-6-8-11-18/h6-8,10-15,22H,5,9,16-17H2,1-4H3,(H,28,31)/t22-/m0/s1