2-oxidanylidenepropyl 2-(4-bromophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 2-(4-bromophenyl)sulfanylpyridine-3-carboxylate Openeye Name: acetonyl 2-(4-bromophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-bromophenyl)thio]-3-pyridinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(4-bromophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-bromophenyl)thio]nicotinic acid acetonyl ester Formula: C15H12BrNO3S MolecularWeight: 366.22968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H12BrNO3S/c1-10(18)9-20-15(19)13-3-2-8-17-14(13)21-12-6-4-11(16)5-7-12/h2-8H,9H2,1H3