2-[3-[(3-butan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(3-butan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[(3-sec-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[3-[butan-2-yloxy(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(3-butan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[(3-sec-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]propyl]pyrazole-3-carboxylic acid Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C20H25N3O5S/c1-3-12(2)28-20(27)17-13-6-4-5-7-15(13)29-18(17)22-16(24)9-11-23-14(19(25)26)8-10-21-23/h8,10,12H,3-7,9,11H2,1-2H3,(H,22,24)(H,25,26)