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

Systemtic Name: 1-methyl-5-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 5-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-[[3-[oxo(propan-2-yloxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 5-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C18H21N3O5S/c1-9(2)26-18(25)13-10-6-4-5-7-12(10)27-16(13)20-15(22)14-11(17(23)24)8-19-21(14)3/h8-9H,4-7H2,1-3H3,(H,20,22)(H,23,24)