(Z)-2-[1-(2-diethylaminoethyloxy)-2-(3-methyl-1-benzothiophen-5-yl)-2-oxidanyl-ethyl]but-2-enedioic acid

Systemtic Name: (Z)-2-[1-(2-diethylaminoethyloxy)-2-(3-methyl-1-benzothiophen-5-yl)-2-oxidanyl-ethyl]but-2-enedioic acid Openeye Name: (Z)-2-[1-(2-diethylaminoethyloxy)-2-hydroxy-2-(3-methylbenzothiophen-5-yl)ethyl]but-2-enedioic acid CAS Name: (Z)-2-[1-(2-diethylaminoethyloxy)-2-hydroxy-2-(3-methyl-1-benzothiophen-5-yl)ethyl]-2-butenedioic acid IUPAC Name: (Z)-2-[1-(2-diethylaminoethyloxy)-2-hydroxy-2-(3-methyl-1-benzothiophen-5-yl)ethyl]but-2-enedioic acid Traditional Name: (Z)-2-[1-(2-diethylaminoethyloxy)-2-hydroxy-2-(3-methylbenzothiophen-5-yl)ethyl]but-2-enedioic acid Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(C(C1=CC2=C(C=C1)SC=C2C)O)C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCOC(C(C1=CC2=C(C=C1)SC=C2C)O)/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C21H27NO6S/c1-4-22(5-2)8-9-28-20(16(21(26)27)11-18(23)24)19(25)14-6-7-17-15(10-14)13(3)12-29-17/h6-7,10-12,19-20,25H,4-5,8-9H2,1-3H3,(H,23,24)(H,26,27)/b16-11-