5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylic acid Openeye Name: 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylic acid CAS Name: 5-tert-butyl-3-[[[2-(1-methyl-2-pyrrolyl)ethylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylic acid Traditional Name: 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]-2-thenoic acid Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)O)NC(=O)NCCC2=CC=CN2C

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)O)NC(=O)NCCC2=CC=CN2C

InChI

InChI=1S/C17H23N3O3S/c1-17(2,3)13-10-12(14(24-13)15(21)22)19-16(23)18-8-7-11-6-5-9-20(11)4/h5-6,9-10H,7-8H2,1-4H3,(H,21,22)(H2,18,19,23)