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

Systemtic Name: [4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3-benzyl-4-methyl-2-oxo-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid [4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4-methyl-2-oxochromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (3-benzyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C30H29NO6S MolecularWeight: 531.61936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](CCSC)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H29NO6S/c1-20-24-14-13-23(18-27(24)37-28(32)25(20)17-21-9-5-3-6-10-21)36-29(33)26(15-16-38-2)31-30(34)35-19-22-11-7-4-8-12-22/h3-14,18,26H,15-17,19H2,1-2H3,(H,31,34)/t26-/m0/s1