7-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-6-methoxycarbonyl-4,7-dihydro-1,4-thiazepine-3-carboxylic acid

Systemtic Name: 7-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-6-methoxycarbonyl-4,7-dihydro-1,4-thiazepine-3-carboxylic acid Openeye Name: 7-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-6-methoxycarbonyl-4,7-dihydro-1,4-thiazepine-3-carboxylic acid CAS Name: 7-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-6-methoxycarbonyl-4,7-dihydro-1,4-thiazepine-3-carboxylic acid IUPAC Name: 7-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-6-methoxycarbonyl-4,7-dihydro-1,4-thiazepine-3-carboxylic acid Traditional Name: 6-carbomethoxy-7-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=CSC1C2=NN3CCCC3=C2)C(=O)O

Isomeric SMILES

COC(=O)C1=CNC(=CSC1C2=NN3CCCC3=C2)C(=O)O

InChI

InChI=1S/C14H15N3O4S/c1-21-14(20)9-6-15-11(13(18)19)7-22-12(9)10-5-8-3-2-4-17(8)16-10/h5-7,12,15H,2-4H2,1H3,(H,18,19)