[4-[2-(azetidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl] N-butylcarbamate

Systemtic Name: [4-[2-(azetidin-1-ylcarbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl] N-butylcarbamate Openeye Name: [4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl] N-butylcarbamate CAS Name: N-butylcarbamic acid [4-[[2-[1-azetidinyl(oxo)methyl]-7-thieno[3,2-b]pyridinyl]oxy]phenyl] ester IUPAC Name: [4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1=CC=C(C=C1)OC2=C3C(=NC=C2)C=C(S3)C(=O)N4CCC4

Isomeric SMILES

CCCCNC(=O)OC1=CC=C(C=C1)OC2=C3C(=NC=C2)C=C(S3)C(=O)N4CCC4

InChI

InChI=1S/C22H23N3O4S/c1-2-3-10-24-22(27)29-16-7-5-15(6-8-16)28-18-9-11-23-17-14-19(30-20(17)18)21(26)25-12-4-13-25/h5-9,11,14H,2-4,10,12-13H2,1H3,(H,24,27)