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

Systemtic Name: 2-[[5-oxidanylidene-2-(phenylmethyl)pyrazolidin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(2-benzyl-5-oxo-pyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[oxo-[5-oxo-2-(phenylmethyl)-3-pyrazolidinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(2-benzyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(2-benzyl-5-keto-pyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=O)NN3CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=O)NN3CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H21N3O4S/c24-16-10-14(23(22-16)11-12-6-2-1-3-7-12)18(25)21-19-17(20(26)27)13-8-4-5-9-15(13)28-19/h1-3,6-7,14H,4-5,8-11H2,(H,21,25)(H,22,24)(H,26,27)