ethyl 2-[[5-oxidanylidene-2-(phenylmethyl)pyrazolidin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-oxidanylidene-2-(phenylmethyl)pyrazolidin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzyl-5-oxo-pyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[5-oxo-2-(phenylmethyl)-3-pyrazolidinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-benzyl-5-keto-pyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=O)NN3CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=O)NN3CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S/c1-2-29-22(28)19-15-10-6-7-11-17(15)30-21(19)23-20(27)16-12-18(26)24-25(16)13-14-8-4-3-5-9-14/h3-5,8-9,16H,2,6-7,10-13H2,1H3,(H,23,27)(H,24,26)