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

Systemtic Name: [4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-benzyl-4-methyl-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-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4-methyl-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-methyl-chromen-7-yl) ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

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