[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxochromen-7-yl] 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C31H29NO8S MolecularWeight: 575.62886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CCSC)NC(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C31H29NO8S/c1-19-28(21-8-11-25-27(16-21)37-14-13-36-25)29(33)23-10-9-22(17-26(23)39-19)40-30(34)24(12-15-41-2)32-31(35)38-18-20-6-4-3-5-7-20/h3-11,16-17,24H,12-15,18H2,1-2H3,(H,32,35)