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

Systemtic Name: 2-[3-oxidanylidene-3-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[[3-[oxo(propan-2-yloxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-11(2)27-19(26)16-12-5-3-4-6-14(12)28-17(16)21-15(23)8-10-22-13(18(24)25)7-9-20-22/h7,9,11H,3-6,8,10H2,1-2H3,(H,21,23)(H,24,25)