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

Systemtic Name: ethyl 2-[(4-chloranyl-3,3-dimethyl-2-oxidanylidene-1-piperidin-4-yl-butyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-chloro-3,3-dimethyl-2-oxo-1-(4-piperidyl)butyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[4-chloro-3,3-dimethyl-2-oxo-1-(4-piperidinyl)butyl]amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3,3-dimethyl-2-oxo-1-piperidin-4-ylbutyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-chloro-2-keto-3,3-dimethyl-1-(4-piperidyl)butyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H34ClN3O4S MolecularWeight: 484.05176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34ClN3O4S/c1-4-31-21(29)17-15-7-5-6-8-16(15)32-20(17)27-22(30)26-18(14-9-11-25-12-10-14)19(28)23(2,3)13-24/h14,18,25H,4-13H2,1-3H3,(H2,26,27,30)