methyl (2S)-2-[2-[4-(2-morpholin-4-yl-4-oxidanylidene-chromen-8-yl)dibenzothiophen-1-yl]oxyethylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[4-(2-morpholin-4-yl-4-oxidanylidene-chromen-8-yl)dibenzothiophen-1-yl]oxyethylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[2-[4-(2-morpholino-4-oxo-chromen-8-yl)dibenzothiophen-1-yl]oxyethylamino]propanoate CAS Name: (2S)-3-hydroxy-2-[2-[[4-[2-(4-morpholinyl)-4-oxo-1-benzopyran-8-yl]-1-dibenzothiophenyl]oxy]ethylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]oxyethylamino]propanoate Traditional Name: (2S)-3-hydroxy-2-[2-[4-(4-keto-2-morpholino-chromen-8-yl)dibenzothiophen-1-yl]oxyethylamino]propionic acid methyl ester Formula: C31H30N2O7S MolecularWeight: 574.6441

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NCCOC1=C2C3=CC=CC=C3SC2=C(C=C1)C4=CC=CC5=C4OC(=CC5=O)N6CCOCC6

Isomeric SMILES

COC(=O)[C@H](CO)NCCOC1=C2C3=CC=CC=C3SC2=C(C=C1)C4=CC=CC5=C4OC(=CC5=O)N6CCOCC6

InChI

InChI=1S/C31H30N2O7S/c1-37-31(36)23(18-34)32-11-14-39-25-10-9-20(30-28(25)22-5-2-3-8-26(22)41-30)19-6-4-7-21-24(35)17-27(40-29(19)21)33-12-15-38-16-13-33/h2-10,17,23,32,34H,11-16,18H2,1H3/t23-/m0/s1