[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl] (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) (2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid [4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl] ester IUPAC Name: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl) ester Formula: C31H31NO6S MolecularWeight: 545.64594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)[C@H](CCSC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H31NO6S/c1-20-16-26-28(21(2)24(29(33)37-26)18-22-10-6-4-7-11-22)27(17-20)38-30(34)25(14-15-39-3)32-31(35)36-19-23-12-8-5-9-13-23/h4-13,16-17,25H,14-15,18-19H2,1-3H3,(H,32,35)/t25-/m0/s1