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

Systemtic Name: [4-(5,6-dimethoxy-4-oxidanylidene-7-propan-2-yloxy-chromen-2-yl)sulfanylphenyl] 4-methylpiperazine-1-carboxylate Openeye Name: [4-(7-isopropoxy-5,6-dimethoxy-4-oxo-chromen-2-yl)sulfanylphenyl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic 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] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [4-[(7-isopropoxy-4-keto-5,6-dimethoxy-chromen-2-yl)thio]phenyl] ester Formula: C26H30N2O7S MolecularWeight: 514.5906

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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)N4CCN(CC4)C)OC)OC

Isomeric SMILES

CC(C)OC1=C(C(=C2C(=C1)OC(=CC2=O)SC3=CC=C(C=C3)OC(=O)N4CCN(CC4)C)OC)OC

InChI

InChI=1S/C26H30N2O7S/c1-16(2)33-21-15-20-23(25(32-5)24(21)31-4)19(29)14-22(35-20)36-18-8-6-17(7-9-18)34-26(30)28-12-10-27(3)11-13-28/h6-9,14-16H,10-13H2,1-5H3