2-[(3S)-1-(2-bromanyl-4-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[(3S)-1-(2-bromanyl-4-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3S)-1-(2-bromo-4-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3S)-1-(2-bromo-4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3S)-1-(2-bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3S)-1-(2-bromo-4-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinate Formula: C17H12BrN2O4S- MolecularWeight: 420.25718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C[C@@H](C2=O)SC3=C(C=CC=N3)C(=O)[O-])Br

InChI

InChI=1S/C17H13BrN2O4S/c1-9-4-5-12(11(18)7-9)20-14(21)8-13(16(20)22)25-15-10(17(23)24)3-2-6-19-15/h2-7,13H,8H2,1H3,(H,23,24)/p-1/t13-/m0/s1