ethyl 2-[(3-chloranyl-2-oxidanylidene-1-piperidin-4-yl-propyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-2-oxidanylidene-1-piperidin-4-yl-propyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-chloro-2-oxo-1-(4-piperidyl)propyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[3-chloro-2-oxo-1-(4-piperidinyl)propyl]amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-2-oxo-1-piperidin-4-ylpropyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-chloro-2-keto-1-(4-piperidyl)propyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H28ClN3O4S MolecularWeight: 441.97202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)C(=O)CCl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)C(=O)CCl

InChI

InChI=1S/C20H28ClN3O4S/c1-2-28-19(26)16-13-5-3-4-6-15(13)29-18(16)24-20(27)23-17(14(25)11-21)12-7-9-22-10-8-12/h12,17,22H,2-11H2,1H3,(H2,23,24,27)