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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid [6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C30H28ClNO6S MolecularWeight: 566.06442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](CCSC)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H28ClNO6S/c1-19-22-16-24(31)27(17-26(22)37-28(33)23(19)15-20-9-5-3-6-10-20)38-29(34)25(13-14-39-2)32-30(35)36-18-21-11-7-4-8-12-21/h3-12,16-17,25H,13-15,18H2,1-2H3,(H,32,35)/t25-/m0/s1