4-(5-bromanylthiophen-3-yl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(5-bromanylthiophen-3-yl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(5-bromothiophene-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[(5-bromo-3-thiophenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(5-bromothiophene-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(5-bromothiophene-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C14H10BrNO4S MolecularWeight: 368.2025

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)C3=CSC(=C3)Br)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C(=O)C3=CSC(=C3)Br)C(=O)O

InChI

InChI=1S/C14H10BrNO4S/c15-12-5-8(7-21-12)13(17)16-6-11(14(18)19)20-10-4-2-1-3-9(10)16/h1-5,7,11H,6H2,(H,18,19)