3-(3-acetamidophenyl)-4-cyano-5-morpholin-4-yl-thiophene-2-carboxylic acid

Systemtic Name: 3-(3-acetamidophenyl)-4-cyano-5-morpholin-4-yl-thiophene-2-carboxylic acid Openeye Name: 3-(3-acetamidophenyl)-4-cyano-5-morpholino-thiophene-2-carboxylic acid CAS Name: 3-(3-acetamidophenyl)-4-cyano-5-(4-morpholinyl)-2-thiophenecarboxylic acid IUPAC Name: 3-(3-acetamidophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxylic acid Traditional Name: 3-(3-acetamidophenyl)-4-cyano-5-morpholino-2-thenoic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=C(SC(=C2C#N)N3CCOCC3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=C(SC(=C2C#N)N3CCOCC3)C(=O)O

InChI

InChI=1S/C18H17N3O4S/c1-11(22)20-13-4-2-3-12(9-13)15-14(10-19)17(26-16(15)18(23)24)21-5-7-25-8-6-21/h2-4,9H,5-8H2,1H3,(H,20,22)(H,23,24)