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

Systemtic Name: [4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenyl] (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate Openeye Name: [4-(7-isopropoxy-5,6-dimethoxy-4-oxo-chromen-2-yl)sulfanylphenyl] (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-(hydroxymethyl)-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-(hydroxymethyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-methylolpyrrolidine-1-carboxylic acid [4-[(7-isopropoxy-4-keto-5,6-dimethoxy-chromen-2-yl)thio]phenyl] ester Formula: C26H29NO8S MolecularWeight: 515.57536

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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)N4CCCC4CO)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO8S/c1-15(2)33-21-13-20-23(25(32-4)24(21)31-3)19(29)12-22(35-20)36-18-9-7-17(8-10-18)34-26(30)27-11-5-6-16(27)14-28/h7-10,12-13,15-16,28H,5-6,11,14H2,1-4H3/t16-/m0/s1