[4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenyl] (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: [4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenyl] (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate Openeye Name: [4-(7-isopropoxy-5,6-dimethoxy-4-oxo-chromen-2-yl)sulfanylphenyl] (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-(methoxymethyl)-1-pyrrolidinecarboxylic acid [4-[(5,6-dimethoxy-4-oxo-7-propan-2-yloxy-1-benzopyran-2-yl)thio]phenyl] ester IUPAC Name: [4-(5,6-dimethoxy-4-oxo-7-propan-2-yloxychromen-2-yl)sulfanylphenyl] (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylic acid [4-[(7-isopropoxy-4-keto-5,6-dimethoxy-chromen-2-yl)thio]phenyl] ester Formula: C27H31NO8S MolecularWeight: 529.60194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)N4CCCC4COC)OC)OC

Isomeric SMILES

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)N4CCC[C@H]4COC)OC)OC

InChI

InChI=1S/C27H31NO8S/c1-16(2)34-22-14-21-24(26(33-5)25(22)32-4)20(29)13-23(36-21)37-19-10-8-18(9-11-19)35-27(30)28-12-6-7-17(28)15-31-3/h8-11,13-14,16-17H,6-7,12,15H2,1-5H3/t17-/m0/s1