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

Systemtic Name: ethyl 2-[[2-(3-nitrophenyl)-2-oxidanylidene-1-piperidin-4-yl-ethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-nitrophenyl)-2-oxo-1-(4-piperidyl)ethyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(3-nitrophenyl)-2-oxo-1-(4-piperidinyl)ethyl]amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-nitrophenyl)-2-oxo-1-piperidin-4-ylethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)-1-(4-piperidyl)ethyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H30N4O6S MolecularWeight: 514.5939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O6S/c1-2-35-24(31)20-18-8-3-4-9-19(18)36-23(20)28-25(32)27-21(15-10-12-26-13-11-15)22(30)16-6-5-7-17(14-16)29(33)34/h5-7,14-15,21,26H,2-4,8-13H2,1H3,(H2,27,28,32)