5-[1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]-2-bromanyl-benzenecarbothioic S-acid

Systemtic Name: 5-[1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]-2-bromanyl-benzenecarbothioic S-acid Openeye Name: 2-bromo-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzenecarbothioic S-acid CAS Name: 2-bromo-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzenecarbothioic S-acid IUPAC Name: 2-bromo-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzenecarbothioic S-acid Traditional Name: 2-bromo-5-(1,3-diketo-4,5,6,7-tetrahydroisoindol-2-yl)thiobenzoic acid Formula: C15H12BrNO3S MolecularWeight: 366.22968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Br)C(=O)S

Isomeric SMILES

C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Br)C(=O)S

InChI

InChI=1S/C15H12BrNO3S/c16-12-6-5-8(7-11(12)15(20)21)17-13(18)9-3-1-2-4-10(9)14(17)19/h5-7H,1-4H2,(H,20,21)