2-azanyl-4-methyl-5-[4-(2-methylpropanoylamino)phenyl]thiophene-3-carboxylic acid

Systemtic Name: 2-azanyl-4-methyl-5-[4-(2-methylpropanoylamino)phenyl]thiophene-3-carboxylic acid Openeye Name: 2-amino-4-methyl-5-[4-(2-methylpropanoylamino)phenyl]thiophene-3-carboxylic acid CAS Name: 2-amino-4-methyl-5-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-thiophenecarboxylic acid IUPAC Name: 2-amino-4-methyl-5-[4-(2-methylpropanoylamino)phenyl]thiophene-3-carboxylic acid Traditional Name: 2-amino-5-[4-(isobutyrylamino)phenyl]-4-methyl-3-thenoic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)N)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)N)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C16H18N2O3S/c1-8(2)15(19)18-11-6-4-10(5-7-11)13-9(3)12(16(20)21)14(17)22-13/h4-8H,17H2,1-3H3,(H,18,19)(H,20,21)