5-[(3-aminophenyl)carbamoyl]-2-(butanoylamino)-4-methyl-thiophene-3-carboxylic acid

Systemtic Name: 5-[(3-aminophenyl)carbamoyl]-2-(butanoylamino)-4-methyl-thiophene-3-carboxylic acid Openeye Name: 5-[(3-aminophenyl)carbamoyl]-2-(butanoylamino)-4-methyl-thiophene-3-carboxylic acid CAS Name: 5-[(3-aminoanilino)-oxomethyl]-4-methyl-2-(1-oxobutylamino)-3-thiophenecarboxylic acid IUPAC Name: 5-[(3-aminophenyl)carbamoyl]-2-(butanoylamino)-4-methylthiophene-3-carboxylic acid Traditional Name: 5-[(3-aminophenyl)carbamoyl]-2-butyramido-4-methyl-3-thenoic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC(=C2)N)C)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC(=C2)N)C)C(=O)O

InChI

InChI=1S/C17H19N3O4S/c1-3-5-12(21)20-16-13(17(23)24)9(2)14(25-16)15(22)19-11-7-4-6-10(18)8-11/h4,6-8H,3,5,18H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)