5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylic acid Openeye Name: 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylic acid CAS Name: 5-tert-butyl-3-[[oxo-[(1-propyl-3-pyrrolyl)amino]methyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylic acid Traditional Name: 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]-2-thenoic acid Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=C1)NC(=O)NC2=C(SC(=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCN1C=CC(=C1)NC(=O)NC2=C(SC(=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C17H23N3O3S/c1-5-7-20-8-6-11(10-20)18-16(23)19-12-9-13(17(2,3)4)24-14(12)15(21)22/h6,8-10H,5,7H2,1-4H3,(H,21,22)(H2,18,19,23)