[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl) 2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid [4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C28H33NO6S MolecularWeight: 511.62972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C28H33NO6S/c1-17-20-12-13-23(33-26(31)22(14-15-36-6)29-27(32)35-28(3,4)5)18(2)24(20)34-25(30)21(17)16-19-10-8-7-9-11-19/h7-13,22H,14-16H2,1-6H3,(H,29,32)