4-(4-bromophenyl)-2-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]thiophene-3-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-2-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]thiophene-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2-[(3-ethoxy-3-oxo-propanoyl)amino]thiophene-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-2-[(3-ethoxy-1,3-dioxopropyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-2-[(3-ethoxy-3-oxopropanoyl)amino]thiophene-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2-[(3-ethoxy-3-keto-propanoyl)amino]-3-thenoic acid Formula: C16H14BrNO5S MolecularWeight: 412.25506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCOC(=O)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H14BrNO5S/c1-2-23-13(20)7-12(19)18-15-14(16(21)22)11(8-24-15)9-3-5-10(17)6-4-9/h3-6,8H,2,7H2,1H3,(H,18,19)(H,21,22)