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

Systemtic Name: methyl 2-[[5-oxidanylidene-2-(phenylmethyl)pyrazolidin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-28-21(27)18-14-9-5-6-10-16(14)29-20(18)22-19(26)15-11-17(25)23-24(15)12-13-7-3-2-4-8-13/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,22,26)(H,23,25)