ethyl 2-[[1-(2-methylpropanoyl)piperidin-4-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(2-methylpropanoyl)piperidin-4-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(2-methylpropanoyl)-4-piperidyl]methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[1-(2-methyl-1-oxopropyl)-4-piperidinyl]methylamino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-methylpropanoyl)piperidin-4-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-isobutyryl-4-piperidyl)methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C22H33N3O4S/c1-4-29-21(27)18-16-7-5-6-8-17(16)30-19(18)24-22(28)23-13-15-9-11-25(12-10-15)20(26)14(2)3/h14-15H,4-13H2,1-3H3,(H2,23,24,28)