methyl 2-[(3S)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[(3S)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoate Openeye Name: methyl 2-[(3S)-1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoate CAS Name: 2-[[(3S)-1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoate Traditional Name: 2-[[(3S)-1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid methyl ester Formula: C18H14BrNO4S MolecularWeight: 420.27706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1S[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrNO4S/c1-24-18(23)13-4-2-3-5-14(13)25-15-10-16(21)20(17(15)22)12-8-6-11(19)7-9-12/h2-9,15H,10H2,1H3/t15-/m0/s1